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

Systemtic Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one Openeye Name: 3-benzylsulfonyl-1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(phenylmethyl)sulfonyl-1-propanone IUPAC Name: 3-benzylsulfonyl-1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-benzylsulfonyl-1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S2/c1-2-19-9-6-10-20-22(19)24-23(30-20)26-14-12-25(13-15-26)21(27)11-16-31(28,29)17-18-7-4-3-5-8-18/h3-10H,2,11-17H2,1H3