3-phenylpropyl 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(4-indolin-1-ylsulfonylanilino)-5-oxo-pentanoate CAS Name: 5-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-5-oxopentanoate Traditional Name: 5-(4-indolin-1-ylsulfonylanilino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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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)CCCC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O5S/c31-27(13-6-14-28(32)35-21-7-10-22-8-2-1-3-9-22)29-24-15-17-25(18-16-24)36(33,34)30-20-19-23-11-4-5-12-26(23)30/h1-5,8-9,11-12,15-18H,6-7,10,13-14,19-21H2,(H,29,31)