(2S)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C19H22N4O6S2 MolecularWeight: 466.53118

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CCCN2C(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O6S2/c1-31(28,29)13-6-7-14(16(12-13)23(26)27)20-8-9-21-18(24)15-4-2-10-22(15)19(25)17-5-3-11-30-17/h3,5-7,11-12,15,20H,2,4,8-10H2,1H3,(H,21,24)/t15-/m0/s1