3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-5-[(2-fluorophenyl)methyl]-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-5-[(2-fluorophenyl)methyl]-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-11,11-dioxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-5-[(2-fluorophenyl)methyl]-11,11-dioxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-11,11-dioxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-5-(2-fluorobenzyl)-11,11-diketo-benzo[b][1,4]benzothiazepin-6-one Formula: C32H27ClFN3O4S MolecularWeight: 604.090883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C5C(=O)N4CC6=CC=CC=C6F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C5C(=O)N4CC6=CC=CC=C6F

InChI

InChI=1S/C32H27ClFN3O4S/c1-21-10-12-24(33)19-27(21)35-14-16-36(17-15-35)31(38)22-11-13-30-28(18-22)37(20-23-6-2-4-8-26(23)34)32(39)25-7-3-5-9-29(25)42(30,40)41/h2-13,18-19H,14-17,20H2,1H3