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

Systemtic Name: methyl 4-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]thiazol-4-yl]benzoic acid methyl ester Formula: C21H21N3O5S3 MolecularWeight: 491.60354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O5S3/c1-29-20(26)16-6-4-14(5-7-16)17-13-31-21(22-17)23-19(25)15-8-10-24(11-9-15)32(27,28)18-3-2-12-30-18/h2-7,12-13,15H,8-11H2,1H3,(H,22,23,25)