[4-[[5-[(cyclopropylmethylsulfamoylamino)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] methanesulfonate

Systemtic Name: [4-[[5-[(cyclopropylmethylsulfamoylamino)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] methanesulfonate Openeye Name: [4-[[5-[(cyclopropylmethylsulfamoylamino)methyl]thiazol-2-yl]carbamoyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[5-[(cyclopropylmethylsulfamoylamino)methyl]-2-thiazolyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[5-[(cyclopropylmethylsulfamoylamino)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[5-[(cyclopropylmethylsulfamoylamino)methyl]thiazol-2-yl]carbamoyl]phenyl] ester Formula: C16H20N4O6S3 MolecularWeight: 460.5482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)CNS(=O)(=O)NCC3CC3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)CNS(=O)(=O)NCC3CC3

InChI

InChI=1S/C16H20N4O6S3/c1-28(22,23)26-13-6-4-12(5-7-13)15(21)20-16-17-9-14(27-16)10-19-29(24,25)18-8-11-2-3-11/h4-7,9,11,18-19H,2-3,8,10H2,1H3,(H,17,20,21)