(4-methylphenyl) 4-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-methylphenyl) 4-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: p-tolyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(1-azepanylsulfonyl)anilino]-4-oxobutanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(azepan-1-ylsulfonyl)anilino]-4-keto-butyric acid p-tolyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-18-6-10-20(11-7-18)30-23(27)15-14-22(26)24-19-8-12-21(13-9-19)31(28,29)25-16-4-2-3-5-17-25/h6-13H,2-5,14-17H2,1H3,(H,24,26)