N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O3S2/c1-18-26-23-11-10-20(17-24(23)33-18)27-25(30)19-6-5-9-22(16-19)34(31,32)29-14-12-28(13-15-29)21-7-3-2-4-8-21/h2-11,16-17H,12-15H2,1H3,(H,27,30)