3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-methyl-3-nitro-phenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-methyl-3-nitro-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methyl-3-nitro-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methyl-3-nitro-phenyl)benzamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5S/c1-14-17(7-6-8-18(14)24(26)27)22-20(25)15-9-10-16(21)19(13-15)30(28,29)23-11-4-2-3-5-12-23/h6-10,13H,2-5,11-12H2,1H3,(H,22,25)