[2-(cyclopropylcarbonylamino)-1,3-benzothiazol-6-yl] 4-(methylamino)benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-1,3-benzothiazol-6-yl] 4-(methylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] 4-(methylamino)benzenesulfonate CAS Name: 4-(methylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] 4-(methylamino)benzenesulfonate Traditional Name: 4-(methylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CC4

Isomeric SMILES

CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CC4

InChI

InChI=1S/C18H17N3O4S2/c1-19-12-4-7-14(8-5-12)27(23,24)25-13-6-9-15-16(10-13)26-18(20-15)21-17(22)11-2-3-11/h4-11,19H,2-3H2,1H3,(H,20,21,22)