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

Systemtic Name: 6-[4-(3-methoxyphenyl)sulfonyl-3-methyl-piperazin-1-yl]-2,8-dimethyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-methoxyphenyl)sulfonyl-3-methyl-piperazin-1-yl]-2,8-dimethyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-methoxyphenyl)sulfonyl-3-methyl-1-piperazinyl]-2,8-dimethylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]-2,8-dimethylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-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=CC(=C2)OC)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)C

Isomeric SMILES

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

InChI

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