1-[4-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethyl)sulfonyl-butan-1-one

Systemtic Name: 1-[4-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethyl)sulfonyl-butan-1-one Openeye Name: 4-benzylsulfonyl-1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethyl)sulfonyl-1-butanone IUPAC Name: 4-benzylsulfonyl-1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-benzylsulfonyl-1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C23H26ClN3O3S2 MolecularWeight: 492.05384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26ClN3O3S2/c1-17-9-10-19(24)22-21(17)25-23(31-22)27-13-11-26(12-14-27)20(28)8-5-15-32(29,30)16-18-6-3-2-4-7-18/h2-4,6-7,9-10H,5,8,11-16H2,1H3