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

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(3-methylpiperidino)sulfonylphenyl]-3,5-dinitro-benzamide Formula: C19H20N4O7S MolecularWeight: 448.4497

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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(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O7S/c1-13-3-2-8-21(12-13)31(29,30)18-6-4-15(5-7-18)20-19(24)14-9-16(22(25)26)11-17(10-14)23(27)28/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,20,24)