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

Systemtic Name: 6-[4-(4-methoxyphenyl)sulfonyl-3-methyl-piperazin-1-yl]-2,8-dimethyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-methoxyphenyl)sulfonyl-3-methyl-piperazin-1-yl]-2,8-dimethyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-methoxyphenyl)sulfonyl-3-methyl-1-piperazinyl]-2,8-dimethylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]-2,8-dimethylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-methoxyphenyl)sulfonyl-3-methyl-piperazino]-2,8-dimethyl-benzo[b][1,4]benzoxazepine Formula: C27H29N3O4S MolecularWeight: 491.60186

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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)C

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)C

InChI

InChI=1S/C27H29N3O4S/c1-18-6-12-25-23(15-18)27(28-24-11-5-19(2)16-26(24)34-25)29-13-14-30(20(3)17-29)35(31,32)22-9-7-21(33-4)8-10-22/h5-12,15-16,20H,13-14,17H2,1-4H3