N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide Formula: C25H23ClN4O3S2 MolecularWeight: 527.05812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C25H23ClN4O3S2/c26-20-9-10-22-23(16-20)34-25(27-22)28-24(31)19-7-4-8-21(15-19)35(32,33)30-13-11-29(12-14-30)17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,27,28,31)