ethyl 4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxidanylideneazepan-3-yl]amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxidanylideneazepan-3-yl]amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]methyl]benzoate CAS Name: 4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxo-3-azepanyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]methyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-ketoazepan-3-yl]amino]methyl]benzoic acid ethyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN([C@@H]2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O5S/c1-2-30-22(27)17-8-6-16(7-9-17)15-25(20-5-3-4-14-24-21(20)26)31(28,29)19-12-10-18(23)11-13-19/h6-13,20H,2-5,14-15H2,1H3,(H,24,26)/t20-/m1/s1