1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylsulfonyl)butan-1-one

Systemtic Name: 1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylsulfonyl)butan-1-one Openeye Name: 4-(benzenesulfonyl)-1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(benzenesulfonyl)-1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(benzenesulfonyl)-1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-besyl-1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C22H24ClN3O4S2 MolecularWeight: 494.02666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24ClN3O4S2/c1-30-18-10-9-17(23)21-20(18)24-22(31-21)26-13-11-25(12-14-26)19(27)8-5-15-32(28,29)16-6-3-2-4-7-16/h2-4,6-7,9-10H,5,8,11-15H2,1H3