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

Systemtic Name: [2-(cyclopropylcarbonylamino)-1,3-benzothiazol-6-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(S4)NC(=O)C5CC5

Isomeric SMILES

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(S4)NC(=O)C5CC5

InChI

InChI=1S/C22H23N3O4S2/c26-21(14-5-6-14)25-22-24-19-12-9-17(13-20(19)30-22)29-31(27,28)18-10-7-16(8-11-18)23-15-3-1-2-4-15/h7-15,23H,1-6H2,(H,24,25,26)