methyl 2-methyl-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-methyl-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 2-methyl-3-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 2-methyl-3-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 2-methyl-3-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C19H22N2O5S2/c1-13-15(19(23)26-2)5-3-6-16(13)20-18(22)14-8-10-21(11-9-14)28(24,25)17-7-4-12-27-17/h3-7,12,14H,8-11H2,1-2H3,(H,20,22)