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

Systemtic Name: 10-methoxy-6-[3-methyl-4-(3-methylphenyl)sulfonyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 10-methoxy-6-[3-methyl-4-(m-tolylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 10-methoxy-6-[3-methyl-4-(3-methylphenyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 10-methoxy-6-[3-methyl-4-(3-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 10-methoxy-6-[3-methyl-4-(m-tolylsulfonyl)piperazino]benzo[b][1,4]benzoxazepine Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)C)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)C)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

InChI

InChI=1S/C26H27N3O4S/c1-18-8-6-9-20(16-18)34(30,31)29-15-14-28(17-19(29)2)26-21-10-7-13-24(32-3)25(21)33-23-12-5-4-11-22(23)27-26/h4-13,16,19H,14-15,17H2,1-3H3