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

Systemtic Name: methyl 3-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H21N3O7S2 MolecularWeight: 467.51594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C19H21N3O7S2/c1-12-3-4-14(22(25)26)11-16(12)31(27,28)21-8-5-13(6-9-21)18(23)20-15-7-10-30-17(15)19(24)29-2/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,20,23)