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

Systemtic Name: 8-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-3-methyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 8-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-3-methyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine CAS Name: 8-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-3-methyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 8-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]benzo[b][1,4]benzoxazepine Traditional Name: 8-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-3-methyl-piperazino]benzo[b][1,4]benzoxazepine Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5S/c1-18-17-28(13-14-29(18)35(30,31)21-8-6-7-19(15-21)32-2)26-22-16-20(33-3)11-12-24(22)34-25-10-5-4-9-23(25)27-26/h4-12,15-16,18H,13-14,17H2,1-3H3