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

Systemtic Name: phenethyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-(4-indolin-1-ylsulfonylanilino)-4-oxo-butanoate CAS Name: 4-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-4-oxobutanoate Traditional Name: 4-(4-indolin-1-ylsulfonylanilino)-4-keto-butyric acid phenethyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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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)OCCC4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CCC(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5S/c29-25(14-15-26(30)33-19-17-20-6-2-1-3-7-20)27-22-10-12-23(13-11-22)34(31,32)28-18-16-21-8-4-5-9-24(21)28/h1-13H,14-19H2,(H,27,29)