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

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

Isomeric SMILES

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

InChI

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