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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S3/c1-3-16(2)23-31(26,27)17-8-10-18(11-9-17)32(28,29)25-14-12-24(13-15-25)21-22-19-6-4-5-7-20(19)30-21/h4-11,16,23H,3,12-15H2,1-2H3