N-(2,5-diethoxyphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,5-diethoxyphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,5-diethoxyphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,5-diethoxyphenyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,5-diethoxyphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,5-diethoxyphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H29N3O7S/c1-4-32-19-8-9-21(33-5-2)20(15-19)24-23(27)17-10-12-25(13-11-17)34(30,31)22-14-18(26(28)29)7-6-16(22)3/h6-9,14-15,17H,4-5,10-13H2,1-3H3,(H,24,27)