N-(1,3-benzothiazol-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4-benzylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(4-benzylpiperazino)sulfonyl-benzamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N4O3S2/c30-24(27-25-26-22-11-4-5-12-23(22)33-25)20-9-6-10-21(17-20)34(31,32)29-15-13-28(14-16-29)18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2,(H,26,27,30)