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

Systemtic Name: (2S)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-methyl-3-morpholinosulfonyl-phenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-methyl-3-morpholinosulfonyl-phenyl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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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)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25N3O5S2/c1-15-6-7-16(14-19(15)31(27,28)23-9-11-29-12-10-23)22-20(25)17-4-2-8-24(17)21(26)18-5-3-13-30-18/h3,5-7,13-14,17H,2,4,8-12H2,1H3,(H,22,25)/t17-/m0/s1