N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[4-(2-ethylpiperidino)sulfonylphenyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-4-16-7-5-6-12-24(16)33(29,30)17-10-8-15(9-11-17)23-22(26)18-13-20(31-2)21(32-3)14-19(18)25(27)28/h8-11,13-14,16H,4-7,12H2,1-3H3,(H,23,26)