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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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