N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(homoveratrylamino)-2-keto-1-methyl-ethyl]-1-tosyl-isonipecotamide Formula: C26H35N3O6S MolecularWeight: 517.6376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H35N3O6S/c1-18-5-8-22(9-6-18)36(32,33)29-15-12-21(13-16-29)26(31)28-19(2)25(30)27-14-11-20-7-10-23(34-3)24(17-20)35-4/h5-10,17,19,21H,11-16H2,1-4H3,(H,27,30)(H,28,31)