[2-(cyclopropylcarbonylamino)-1,3-benzothiazol-6-yl] 4-[4-(4-pyridin-3-ylimidazol-1-yl)butylamino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-1,3-benzothiazol-6-yl] 4-[4-(4-pyridin-3-ylimidazol-1-yl)butylamino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] 4-[4-[4-(3-pyridyl)imidazol-1-yl]butylamino]benzenesulfonate CAS Name: 4-[4-[4-(3-pyridinyl)-1-imidazolyl]butylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] 4-[4-(4-pyridin-3-ylimidazol-1-yl)butylamino]benzenesulfonate Traditional Name: 4-[4-[4-(3-pyridyl)imidazol-1-yl]butylamino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] ester Formula: C29H28N6O4S2 MolecularWeight: 588.70042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC3=C(S2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCCCN5C=C(N=C5)C6=CN=CC=C6

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(S2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCCCN5C=C(N=C5)C6=CN=CC=C6

InChI

InChI=1S/C29H28N6O4S2/c36-28(20-5-6-20)34-29-33-25-12-9-23(16-27(25)40-29)39-41(37,38)24-10-7-22(8-11-24)31-14-1-2-15-35-18-26(32-19-35)21-4-3-13-30-17-21/h3-4,7-13,16-20,31H,1-2,5-6,14-15H2,(H,33,34,36)