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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)N4CCCC4

InChI

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