methyl 3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N2O5S2/c1-13-6-7-14(12-16(13)28(24,25)21-9-4-3-5-10-21)18(22)20-15-8-11-27-17(15)19(23)26-2/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,22)