(2S)-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-methyl-3-piperidinosulfonyl-phenyl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3=CC=CS3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H27N3O4S2/c1-16-9-10-17(15-20(16)31(28,29)24-11-3-2-4-12-24)23-21(26)18-7-5-13-25(18)22(27)19-8-6-14-30-19/h6,8-10,14-15,18H,2-5,7,11-13H2,1H3,(H,23,26)/t18-/m0/s1