1-(3,4-dimethylphenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-(4-phenyl-1-piperazinyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-(4-phenylpiperazino)ethyl]isonipecotamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCN3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCN3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H36N4O3S/c1-21-8-9-25(20-22(21)2)34(32,33)30-13-10-23(11-14-30)26(31)27-12-15-28-16-18-29(19-17-28)24-6-4-3-5-7-24/h3-9,20,23H,10-19H2,1-2H3,(H,27,31)