1-[2-[(2,5-dimethoxyphenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(2,5-dimethoxyphenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[N-(benzenesulfonyl)-2,5-dimethoxy-anilino]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-(N-besyl-2,5-dimethoxy-anilino)acetyl]isonipecotamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N(CC(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N(CC(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O6S/c1-30-17-8-9-20(31-2)19(14-17)25(32(28,29)18-6-4-3-5-7-18)15-21(26)24-12-10-16(11-13-24)22(23)27/h3-9,14,16H,10-13,15H2,1-2H3,(H2,23,27)