3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazino]methyl]-N-(4-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C27H30N4O4S2 MolecularWeight: 538.6815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C4=C(C=CC(=C4)S(=O)(=O)NC5=CC=C(C=C5)OC)OC3=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C4=C(C=CC(=C4)S(=O)(=O)NC5=CC=C(C=C5)OC)OC3=S)C

InChI

InChI=1S/C27H30N4O4S2/c1-19-5-4-6-24(20(19)2)30-15-13-29(14-16-30)18-31-25-17-23(11-12-26(25)35-27(31)36)37(32,33)28-21-7-9-22(34-3)10-8-21/h4-12,17,28H,13-16,18H2,1-3H3