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

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(1-azepanylsulfonyl)anilino]-4-oxobutanoate IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(azepan-1-ylsulfonyl)anilino]-4-keto-butyrate Formula: C16H21N2O5S- MolecularWeight: 353.41334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H22N2O5S/c19-15(9-10-16(20)21)17-13-5-7-14(8-6-13)24(22,23)18-11-3-1-2-4-12-18/h5-8H,1-4,9-12H2,(H,17,19)(H,20,21)/p-1