methyl N-[2-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]ethyl]carbamate

Systemtic Name: methyl N-[2-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]ethyl]carbamate Openeye Name: methyl N-[2-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]ethyl]carbamate CAS Name: N-[2-[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]ethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]ethyl]carbamate Traditional Name: N-[2-[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]ethyl]carbamic acid methyl ester Formula: C16H22ClN3O5S MolecularWeight: 403.88098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCCN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)NCCN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H22ClN3O5S/c1-25-16(22)19-10-11-20(14-4-2-3-9-18-15(14)21)26(23,24)13-7-5-12(17)6-8-13/h5-8,14H,2-4,9-11H2,1H3,(H,18,21)(H,19,22)