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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloro-4-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloro-4-nitro-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=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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