N-(3-pyrrolidin-1-ylsulfonylphenyl)-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: 1-[oxo(thiophen-2-yl)methyl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-3-piperidinecarboxamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-1-(2-thenoyl)nipecotamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S2/c25-20(16-6-4-10-23(15-16)21(26)19-9-5-13-29-19)22-17-7-3-8-18(14-17)30(27,28)24-11-1-2-12-24/h3,5,7-9,13-14,16H,1-2,4,6,10-12,15H2,(H,22,25)