3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-oxidanyl-3-oxidanylidene-propyl]-1-(phenylmethyl)indole-5-carboxylic acid

Systemtic Name: 3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-oxidanyl-3-oxidanylidene-propyl]-1-(phenylmethyl)indole-5-carboxylic acid Openeye Name: 1-benzyl-3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxy-3-oxo-propyl]indole-5-carboxylic acid CAS Name: 3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxy-3-oxopropyl]-1-(phenylmethyl)-5-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxy-3-oxopropyl]indole-5-carboxylic acid Traditional Name: 1-benzyl-3-[2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxy-3-keto-propyl]indole-5-carboxylic acid Formula: C29H26N2O7S MolecularWeight: 546.59094

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=C2C=C(C=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C3=C2C=C(C=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H26N2O7S/c1-2-3-15-38-23-10-12-24(13-11-23)39(36,37)30-26(29(34)35)17-22-19-31(18-20-7-5-4-6-8-20)27-14-9-21(28(32)33)16-25(22)27/h4-14,16,19,26,30H,15,17-18H2,1H3,(H,32,33)(H,34,35)