3-phenylpropyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(4-indolin-1-ylsulfonylanilino)-4-oxo-butanoate CAS Name: 4-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-4-oxobutanoate Traditional Name: 4-(4-indolin-1-ylsulfonylanilino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CCC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CCC(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c30-26(16-17-27(31)34-20-6-9-21-7-2-1-3-8-21)28-23-12-14-24(15-13-23)35(32,33)29-19-18-22-10-4-5-11-25(22)29/h1-5,7-8,10-15H,6,9,16-20H2,(H,28,30)