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

Systemtic Name: (5-methyl-1,2-benzothiazol-3-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(5-methyl-1,2-benzothiazol-3-yl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone Traditional Name: (4-besylpiperazino)-(5-methyl-1,2-benzothiazol-3-yl)methanone Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SN=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)SN=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19N3O3S2/c1-14-7-8-17-16(13-14)18(20-26-17)19(23)21-9-11-22(12-10-21)27(24,25)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3