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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-4-nitro-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-15-7-9-18(14-20(15)30(28,29)23-11-5-3-4-6-12-23)22-21(25)17-8-10-19(24(26)27)16(2)13-17/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)