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

Systemtic Name: 4-azanyl-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-nitro-benzamide Openeye Name: 4-amino-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-nitro-benzamide CAS Name: 4-amino-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-nitrobenzamide Traditional Name: 4-amino-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-nitro-benzamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c1-14-6-8-16(13-19(14)30(28,29)23-10-4-2-3-5-11-23)22-20(25)15-7-9-17(21)18(12-15)24(26)27/h6-9,12-13H,2-5,10-11,21H2,1H3,(H,22,25)