N-[2-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-sulfonamide dihydrochloride

Systemtic Name: N-[2-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-sulfonamide dihydrochloride Openeye Name: N-[2-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-sulfonamide dihydrochloride CAS Name: N-[2-[4-(3-phenoxypropyl)-1-piperazinyl]ethyl]-1,3-benzothiazole-6-sulfonamide dihydrochloride IUPAC Name: N-[2-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-sulfonamide dihydrochloride Traditional Name: N-[2-[4-(3-phenoxypropyl)piperazino]ethyl]-1,3-benzothiazole-6-sulfonamide dihydrochloride Formula: C22H30Cl2N4O3S2 MolecularWeight: 533.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC=C2)CCNS(=O)(=O)C3=CC4=C(C=C3)N=CS4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC=C2)CCNS(=O)(=O)C3=CC4=C(C=C3)N=CS4.Cl.Cl

InChI

InChI=1S/C22H28N4O3S2.2ClH/c27-31(28,20-7-8-21-22(17-20)30-18-23-21)24-9-11-26-14-12-25(13-15-26)10-4-16-29-19-5-2-1-3-6-19;;/h1-3,5-8,17-18,24H,4,9-16H2;2*1H