ethyl 2-chloranyl-4-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: ethyl 2-chloro-4-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 2-chloro-4-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 2-chloro-4-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]benzoic acid ethyl ester Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C19H21ClN2O5S2/c1-2-27-19(24)15-6-5-14(12-16(15)20)21-18(23)13-7-9-22(10-8-13)29(25,26)17-4-3-11-28-17/h3-6,11-13H,2,7-10H2,1H3,(H,21,23)