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

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6S/c1-3-30-18-6-8-19(9-7-18)31(28,29)23-12-10-16(11-13-23)21(25)22-20-14-17(24(26)27)5-4-15(20)2/h4-9,14,16H,3,10-13H2,1-2H3,(H,22,25)