(3,4-diethoxyphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3,4-diethoxyphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3,4-diethoxyphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3,4-diethoxyphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3,4-diethoxyphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3,4-diethoxyphenyl)-[4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C)OCC

InChI

InChI=1S/C23H27N3O5S2/c1-4-30-17-10-9-16(15-18(17)31-5-2)22(27)25-11-13-26(14-12-25)23-24-21-19(32-23)7-6-8-20(21)33(3,28)29/h6-10,15H,4-5,11-14H2,1-3H3