N-(1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(4-tosylpiperazino)acetamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O3S2/c1-15-6-8-16(9-7-15)29(26,27)24-12-10-23(11-13-24)14-19(25)22-20-21-17-4-2-3-5-18(17)28-20/h2-9H,10-14H2,1H3,(H,21,22,25)