1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone Openeye Name: 2-benzylsulfonyl-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethyl)sulfonylethanone IUPAC Name: 2-benzylsulfonyl-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-benzylsulfonyl-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S2/c1-28-17-8-5-9-18-20(17)22-21(29-18)24-12-10-23(11-13-24)19(25)15-30(26,27)14-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3