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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O5S3/c1-29-20(26)15-9-7-14(8-10-15)16-13-31-21(22-16)23-19(25)17-5-2-3-11-24(17)32(27,28)18-6-4-12-30-18/h4,6-10,12-13,17H,2-3,5,11H2,1H3,(H,22,23,25)