4-oxidanylidene-4-[5-[phenethyl-(phenylmethyl)sulfamoyl]-2,3-dihydroindol-1-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[5-[phenethyl-(phenylmethyl)sulfamoyl]-2,3-dihydroindol-1-yl]butanoic acid Openeye Name: 4-[5-[benzyl(phenethyl)sulfamoyl]indolin-1-yl]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[5-[phenethyl-(phenylmethyl)sulfamoyl]-2,3-dihydroindol-1-yl]butanoic acid IUPAC Name: 4-[5-[benzyl(phenethyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid Traditional Name: 4-[5-[benzyl(phenethyl)sulfamoyl]indolin-1-yl]-4-keto-butyric acid Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)CCC(=O)O

InChI

InChI=1S/C27H28N2O5S/c30-26(13-14-27(31)32)29-18-16-23-19-24(11-12-25(23)29)35(33,34)28(20-22-9-5-2-6-10-22)17-15-21-7-3-1-4-8-21/h1-12,19H,13-18,20H2,(H,31,32)