1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one Openeye Name: 3-benzylsulfonyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(phenylmethyl)sulfonyl-1-propanone IUPAC Name: 3-benzylsulfonyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-benzylsulfonyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c1-17-6-5-9-19-21(17)23-22(29-19)25-13-11-24(12-14-25)20(26)10-15-30(27,28)16-18-7-3-2-4-8-18/h2-9H,10-16H2,1H3