methyl 2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(4-methylthiazol-2-yl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(4-methyl-2-thiazolyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(4-methylthiazol-2-yl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C18H21N3O5S2/c1-12-11-27-18(19-12)20-16(22)13-7-9-21(10-8-13)28(24,25)15-6-4-3-5-14(15)17(23)26-2/h3-6,11,13H,7-10H2,1-2H3,(H,19,20,22)