8-methoxy-6-[3-methyl-4-(2-methylphenyl)sulfonyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 8-methoxy-6-[3-methyl-4-(2-methylphenyl)sulfonyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 8-methoxy-6-[3-methyl-4-(o-tolylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 8-methoxy-6-[3-methyl-4-(2-methylphenyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 8-methoxy-6-[3-methyl-4-(2-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 8-methoxy-6-[3-methyl-4-(o-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=C2C)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC=C2C)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

InChI

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