1-methylsulfonyl-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]piperidine-4-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-1-mesyl-isonipecotamide Formula: C25H36N4O3S2 MolecularWeight: 504.70834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C25H36N4O3S2/c1-20(26-25(30)22-10-12-29(13-11-22)34(2,31)32)24(23-9-6-18-33-23)28-16-14-27(15-17-28)19-21-7-4-3-5-8-21/h3-9,18,20,22,24H,10-17,19H2,1-2H3,(H,26,30)