methyl 4,5-dimethyl-2-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotoyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

InChI

InChI=1S/C21H25N3O7S2/c1-12-5-6-16(24(27)28)11-17(12)33(29,30)23-9-7-15(8-10-23)19(25)22-20-18(21(26)31-4)13(2)14(3)32-20/h5-6,11,15H,7-10H2,1-4H3,(H,22,25)