1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

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