(3S)-N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(5-carbamoyl-2-pyrrolidin-1-yl-phenyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[5-carbamoyl-2-(1-pyrrolidinyl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(5-carbamoyl-2-pyrrolidino-phenyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O4S2/c22-20(26)15-7-8-18(24-9-1-2-10-24)17(13-15)23-21(27)16-5-3-11-25(14-16)31(28,29)19-6-4-12-30-19/h4,6-8,12-13,16H,1-3,5,9-11,14H2,(H2,22,26)(H,23,27)/t16-/m0/s1