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

Systemtic Name: N-[2-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[2-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-sulfonamide CAS Name: N-[2-[4-(3-phenoxypropyl)-1-piperazinyl]ethyl]-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[2-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[2-[4-(3-phenoxypropyl)piperazino]ethyl]-1,3-benzothiazole-6-sulfonamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S2/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