6-[4-(3-chlorophenyl)sulfonyl-3-methyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(3-chlorophenyl)sulfonyl-3-methyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-chlorophenyl)sulfonyl-3-methyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-chlorophenyl)sulfonyl-3-methyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-chlorophenyl)sulfonyl-3-methyl-piperazino]benzo[b][1,4]benzoxazepine Formula: C24H22ClN3O3S MolecularWeight: 467.96778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C24H22ClN3O3S/c1-17-16-27(13-14-28(17)32(29,30)19-8-6-7-18(25)15-19)24-20-9-2-4-11-22(20)31-23-12-5-3-10-21(23)26-24/h2-12,15,17H,13-14,16H2,1H3