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

Systemtic Name: 3-[(4-chlorophenyl)sulfonyl-[(3R)-2-oxidanylideneazepan-3-yl]amino]propanoic acid Openeye Name: 3-[(4-chlorophenyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]propanoic acid CAS Name: 3-[(4-chlorophenyl)sulfonyl-[(3R)-2-oxo-3-azepanyl]amino]propanoic acid IUPAC Name: 3-[(4-chlorophenyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]propanoic acid Traditional Name: 3-[(4-chlorophenyl)sulfonyl-[(3R)-2-ketoazepan-3-yl]amino]propionic acid Formula: C15H19ClN2O5S MolecularWeight: 374.83976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H19ClN2O5S/c16-11-4-6-12(7-5-11)24(22,23)18(10-8-14(19)20)13-3-1-2-9-17-15(13)21/h4-7,13H,1-3,8-10H2,(H,17,21)(H,19,20)/t13-/m1/s1