N-[3-[methyl-(phenylmethyl)amino]propyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O3S2/c1-23(16-18-8-3-2-4-9-18)13-7-12-22-21(25)19-10-5-14-24(17-19)29(26,27)20-11-6-15-28-20/h2-4,6,8-9,11,15,19H,5,7,10,12-14,16-17H2,1H3,(H,22,25)