N-[1-(phenylmethyl)pyrrolidin-3-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-3-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(phenylmethyl)-3-pyrrolidinyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCN(C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2CCN(C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

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