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

Systemtic Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-3-methyl-piperazin-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-3-methyl-piperazin-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-3-methyl-1-piperazinyl]-2-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-3-methyl-piperazino]-2-methyl-benzo[b][1,4]benzoxazepine Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)OC)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)OC)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)OC

InChI

InChI=1S/C27H29N3O5S/c1-18-5-11-24-26(15-18)35-25-12-8-21(34-4)16-23(25)27(28-24)29-13-14-30(19(2)17-29)36(31,32)22-9-6-20(33-3)7-10-22/h5-12,15-16,19H,13-14,17H2,1-4H3