4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]sulfonyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperazino]sulfonyl-N,N-diethyl-benzenesulfonamide Formula: C21H26N4O4S3 MolecularWeight: 494.65054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H26N4O4S3/c1-3-24(4-2)31(26,27)17-9-11-18(12-10-17)32(28,29)25-15-13-23(14-16-25)21-22-19-7-5-6-8-20(19)30-21/h5-12H,3-4,13-16H2,1-2H3