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

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C23H31N3O4S2/c1-30-20-7-4-6-19(16-20)21(25-11-2-3-12-25)17-24-23(27)18-9-13-26(14-10-18)32(28,29)22-8-5-15-31-22/h4-8,15-16,18,21H,2-3,9-14,17H2,1H3,(H,24,27)