N-[4-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]phenyl]acetamide CAS Name: N-[4-[[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]phenyl]acetamide Traditional Name: N-[4-[[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]methyl]phenyl]acetamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O4S/c1-15(26)24-18-9-5-16(6-10-18)14-25(20-4-2-3-13-23-21(20)27)30(28,29)19-11-7-17(22)8-12-19/h5-12,20H,2-4,13-14H2,1H3,(H,23,27)(H,24,26)