1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethyl)sulfonyl-butan-1-one

Systemtic Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethyl)sulfonyl-butan-1-one Openeye Name: 4-benzylsulfonyl-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethyl)sulfonyl-1-butanone IUPAC Name: 4-benzylsulfonyl-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-benzylsulfonyl-1-[4-(6-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=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

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