[2-(3-piperidin-4-ylpropanoylamino)-1,3-benzothiazol-6-yl] 4-(3-imidazol-1-ylpropylamino)benzenesulfonate hydrochloride

Systemtic Name: [2-(3-piperidin-4-ylpropanoylamino)-1,3-benzothiazol-6-yl] 4-(3-imidazol-1-ylpropylamino)benzenesulfonate hydrochloride Openeye Name: [2-[3-(4-piperidyl)propanoylamino]-1,3-benzothiazol-6-yl] 4-(3-imidazol-1-ylpropylamino)benzenesulfonate hydrochloride CAS Name: 4-[3-(1-imidazolyl)propylamino]benzenesulfonic acid [2-[[1-oxo-3-(4-piperidinyl)propyl]amino]-1,3-benzothiazol-6-yl] ester hydrochloride IUPAC Name: [2-(3-piperidin-4-ylpropanoylamino)-1,3-benzothiazol-6-yl] 4-(3-imidazol-1-ylpropylamino)benzenesulfonate hydrochloride Traditional Name: 4-(3-imidazol-1-ylpropylamino)benzenesulfonic acid [2-[3-(4-piperidyl)propanoylamino]-1,3-benzothiazol-6-yl] ester hydrochloride Formula: C27H33ClN6O4S2 MolecularWeight: 605.17172

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(=O)NC2=NC3=C(S2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCCN5C=CN=C5.Cl

Isomeric SMILES

C1CNCCC1CCC(=O)NC2=NC3=C(S2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCCN5C=CN=C5.Cl

InChI

InChI=1S/C27H32N6O4S2.ClH/c34-26(9-2-20-10-13-28-14-11-20)32-27-31-24-8-5-22(18-25(24)38-27)37-39(35,36)23-6-3-21(4-7-23)30-12-1-16-33-17-15-29-19-33;/h3-8,15,17-20,28,30H,1-2,9-14,16H2,(H,31,32,34);1H