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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

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