1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylsulfonyl)ethanone

Systemtic Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylsulfonyl)ethanone Openeye Name: 2-(benzenesulfonyl)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(benzenesulfonyl)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(benzenesulfonyl)-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-besyl-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S2/c1-2-28-16-8-9-18-19(14-16)29-21(22-18)24-12-10-23(11-13-24)20(25)15-30(26,27)17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3