4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-(4-p-phenetylsulfonylpiperazino)butan-1-one Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O4S2/c1-2-30-18-10-12-19(13-11-18)32(28,29)26-16-14-25(15-17-26)23(27)9-5-8-22-24-20-6-3-4-7-21(20)31-22/h3-4,6-7,10-13H,2,5,8-9,14-17H2,1H3