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

Systemtic Name: 10-methoxy-6-[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(benzenesulfonyl)-3-methyl-piperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(benzenesulfonyl)-3-methyl-1-piperazinyl]-10-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]-10-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-besyl-3-methyl-piperazino)-10-methoxy-benzo[b][1,4]benzoxazepine Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-18-17-27(15-16-28(18)33(29,30)19-9-4-3-5-10-19)25-20-11-8-14-23(31-2)24(20)32-22-13-7-6-12-21(22)26-25/h3-14,18H,15-17H2,1-2H3