2-(4-chlorophenyl)sulfanyl-5-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[3-(2-ketoazepan-1-yl)propyl]-5-nitro-benzamide Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O4S/c23-16-6-9-18(10-7-16)31-20-11-8-17(26(29)30)15-19(20)22(28)24-12-4-14-25-13-3-1-2-5-21(25)27/h6-11,15H,1-5,12-14H2,(H,24,28)