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

Systemtic Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2-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=C1C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C23H31N3O4S2/c1-30-21-8-3-2-7-19(21)20(25-12-4-5-13-25)17-24-23(27)18-10-14-26(15-11-18)32(28,29)22-9-6-16-31-22/h2-3,6-9,16,18,20H,4-5,10-15,17H2,1H3,(H,24,27)