2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3,5-dinitro-benzamide

Systemtic Name: 2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3,5-dinitro-benzamide Openeye Name: 2-methyl-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-3,5-dinitro-benzamide CAS Name: 2-methyl-N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: 2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3,5-dinitrobenzamide Traditional Name: 2-methyl-N-[4-(3-methylpiperidino)sulfonylphenyl]-3,5-dinitro-benzamide Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O7S/c1-13-4-3-9-22(12-13)32(30,31)17-7-5-15(6-8-17)21-20(25)18-10-16(23(26)27)11-19(14(18)2)24(28)29/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,21,25)