N-(2-pyrrolidin-1-ylcarbonylphenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2-pyrrolidin-1-ylcarbonylphenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[oxo(1-pyrrolidinyl)methyl]phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(pyrrolidine-1-carbonyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S2/c25-20(16-7-5-13-24(15-16)30(27,28)19-10-6-14-29-19)22-18-9-2-1-8-17(18)21(26)23-11-3-4-12-23/h1-2,6,8-10,14,16H,3-5,7,11-13,15H2,(H,22,25)