2-(1,3-benzodioxol-5-yl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-tosylpiperazino)methyl]thiazole Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O4S2/c1-16-2-5-19(6-3-16)31(26,27)25-10-8-24(9-11-25)13-18-14-30-22(23-18)17-4-7-20-21(12-17)29-15-28-20/h2-7,12,14H,8-11,13,15H2,1H3