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

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-3-yl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(phenylmethyl)-3-pyrrolidinyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c27-22(24-20-10-12-25(17-20)16-18-5-2-1-3-6-18)19-8-13-26(14-9-19)30(28,29)21-7-4-11-23-15-21/h1-7,11,15,19-20H,8-10,12-14,16-17H2,(H,24,27)