(2S)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N3O4S2/c1-16-5-2-12-24(15-16)31(28,29)18-10-8-17(9-11-18)23-21(26)19-6-3-13-25(19)22(27)20-7-4-14-30-20/h4,7-11,14,16,19H,2-3,5-6,12-13,15H2,1H3,(H,23,26)/t16-,19-/m0/s1