2-[4-(diphenylmethyl)piperazin-1-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-benzhydrylpiperazino)-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C27H28N4O3S2 MolecularWeight: 520.66622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3S2/c1-36(33,34)22-12-13-23-24(18-22)35-27(28-23)29-25(32)19-30-14-16-31(17-15-30)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,26H,14-17,19H2,1H3,(H,28,29,32)