1-[3-methoxy-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-[3-methoxy-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]-3-methoxy-phenyl]sulfonylindoline-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]-3-methoxyphenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]-3-methoxyphenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]-3-methoxy-phenyl]sulfonylindoline-2-carboxylic acid Formula: C30H32N2O7S MolecularWeight: 564.64928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)O)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)O)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

InChI

InChI=1S/C30H32N2O7S/c1-39-28-19-23(40(37,38)32-26-7-3-2-6-21(26)18-27(32)30(35)36)13-15-24(28)25(29(33)34)14-10-20-8-11-22(12-9-20)31-16-4-5-17-31/h2-3,6-9,11-13,15,19,25,27H,4-5,10,14,16-18H2,1H3,(H,33,34)(H,35,36)