[3-[[5-(3-methylbutylsulfonylamino)-1,3-thiazol-2-yl]carbamoyl]phenyl] methanesulfonate

Systemtic Name: [3-[[5-(3-methylbutylsulfonylamino)-1,3-thiazol-2-yl]carbamoyl]phenyl] methanesulfonate Openeye Name: [3-[[5-(isopentylsulfonylamino)thiazol-2-yl]carbamoyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[5-(3-methylbutylsulfonylamino)-2-thiazolyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [3-[[5-(3-methylbutylsulfonylamino)-1,3-thiazol-2-yl]carbamoyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[5-(isoamylsulfonylamino)thiazol-2-yl]carbamoyl]phenyl] ester Formula: C16H21N3O6S3 MolecularWeight: 447.54944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)NC1=CN=C(S1)NC(=O)C2=CC(=CC=C2)OS(=O)(=O)C

Isomeric SMILES

CC(C)CCS(=O)(=O)NC1=CN=C(S1)NC(=O)C2=CC(=CC=C2)OS(=O)(=O)C

InChI

InChI=1S/C16H21N3O6S3/c1-11(2)7-8-28(23,24)19-14-10-17-16(26-14)18-15(20)12-5-4-6-13(9-12)25-27(3,21)22/h4-6,9-11,19H,7-8H2,1-3H3,(H,17,18,20)