N-[1-(phenylmethyl)pyrrolidin-3-yl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-3-yl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[1-(phenylmethyl)-3-pyrrolidinyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N3O3S2/c25-21(22-19-10-12-23(16-19)14-17-6-2-1-3-7-17)18-8-4-11-24(15-18)29(26,27)20-9-5-13-28-20/h1-3,5-7,9,13,18-19H,4,8,10-12,14-16H2,(H,22,25)