2-{[4-(2-{4'-tert-butyl-[1,1'-biphenyl]-4-yl}-2-({2',4',6'-trimethyl-[1,1'-biphenyl]-4-yl}carbamoyl)ethyl)phenyl]formamido}ethanesulfonic acid

CAS: 1207989-09-0

Formula: C43H46N2O5S

SMILES: CC1=CC(C)=C(C(C)=C1)C1=CC=C(NC(=O)C(CC2=CC=C(C=C2)C(=O)NCCS(O)(=O)=O)C2=CC=C(C=C2)C2=CC=C(C=C2)C(C)(C)C)C=C1

IUPAC: 2-{[4-(2-{4'-tert-butyl-[1,1'-biphenyl]-4-yl}-2-({2',4',6'-trimethyl-[1,1'-biphenyl]-4-yl}carbamoyl)ethyl)phenyl]formamido}ethane-1-sulfonic acid

InChI: InChI=1/C43H46N2O5S/c1-28-25-29(2)40(30(3)26-28)35-17-21-38(22-18-35)45-42(47)39(27-31-7-9-36(10-8-31)41(46)44-23-24-51(48,49)50)34-13-11-32(12-14-34)33-15-19-37(20-16-33)43(4,5)6/h7-22,25-26,39H,23-24,27H2,1-6H3,(H,44,46)(H,45,47)(H,48,49,50)

Composition: C (73.48%), H (6.60%), N (3.99%), O (11.38%), S (4.56%)

Molar Mass: 702.91

Atom Count: 97

Heavy Atom Count: 51