(3-ethylsulfonylphenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3-ethylsulfonylphenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3-ethylsulfonylphenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3-ethylsulfonylphenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3-ethylsulfonylphenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3-esylphenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C

InChI

InChI=1S/C21H23N3O3S2/c1-3-29(26,27)17-8-5-7-16(14-17)20(25)23-10-12-24(13-11-23)21-22-19-15(2)6-4-9-18(19)28-21/h4-9,14H,3,10-13H2,1-2H3