4-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]butanoic acid

Systemtic Name: 4-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]butanoic acid Openeye Name: 4-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]butanoic acid CAS Name: 4-[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]butanoic acid IUPAC Name: 4-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]butanoic acid Traditional Name: 4-[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]butyric acid Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(CCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN2O5S/c17-12-6-8-13(9-7-12)25(23,24)19(11-3-5-15(20)21)14-4-1-2-10-18-16(14)22/h6-9,14H,1-5,10-11H2,(H,18,22)(H,20,21)