2-[[1-[(4-tert-butylphenyl)methyl]indol-5-yl]-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[[1-[(4-tert-butylphenyl)methyl]indol-5-yl]-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[benzenesulfonyl-[1-[(4-tert-butylphenyl)methyl]indol-5-yl]amino]acetic acid CAS Name: 2-[benzenesulfonyl-[1-[(4-tert-butylphenyl)methyl]-5-indolyl]amino]acetic acid IUPAC Name: 2-[benzenesulfonyl-[1-[(4-tert-butylphenyl)methyl]indol-5-yl]amino]acetic acid Traditional Name: 2-[besyl-[1-(4-tert-butylbenzyl)indol-5-yl]amino]acetic acid Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)N(CC(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)N(CC(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4S/c1-27(2,3)22-11-9-20(10-12-22)18-28-16-15-21-17-23(13-14-25(21)28)29(19-26(30)31)34(32,33)24-7-5-4-6-8-24/h4-17H,18-19H2,1-3H3,(H,30,31)