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

Systemtic Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethyl)sulfonyl-butan-1-one Openeye Name: 4-benzylsulfonyl-1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethyl)sulfonyl-1-butanone IUPAC Name: 4-benzylsulfonyl-1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-benzylsulfonyl-1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4S2/c1-2-31-20-10-6-11-21-23(20)25-24(32-21)27-15-13-26(14-16-27)22(28)12-7-17-33(29,30)18-19-8-4-3-5-9-19/h3-6,8-11H,2,7,12-18H2,1H3