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

Systemtic Name: N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2,4-dinitro-benzamide Openeye Name: N-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]-2,4-dinitro-benzamide CAS Name: N-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2,4-dinitrobenzamide Traditional Name: N-[4-(2-ethylpiperidino)sulfonylphenyl]-2,4-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=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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