3-(azepan-1-ylsulfonyl)-N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(2-chloro-5-nitro-phenyl)methyl]-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-chloro-5-nitro-benzyl)-N-methyl-benzamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24ClN3O5S/c1-23(15-17-13-18(25(27)28)9-10-20(17)22)21(26)16-7-6-8-19(14-16)31(29,30)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12,15H2,1H3