N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazino)ethyl]-1-mesyl-isonipecotamide Formula: C22H37N5O3S MolecularWeight: 451.62588

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H37N5O3S/c1-24(2)20-7-5-18(6-8-20)21(26-15-13-25(3)14-16-26)17-23-22(28)19-9-11-27(12-10-19)31(4,29)30/h5-8,19,21H,9-17H2,1-4H3,(H,23,28)