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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O7S/c1-2-16-5-3-4-10-22(16)32(30,31)19-8-6-15(7-9-19)21-20(25)14-11-17(23(26)27)13-18(12-14)24(28)29/h6-9,11-13,16H,2-5,10H2,1H3,(H,21,25)