6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,8-dimethyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,8-dimethyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,8-dimethyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2,8-dimethylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,8-dimethylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-methoxyphenyl)sulfonylpiperazino]-2,8-dimethyl-benzo[b][1,4]benzoxazepine Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H27N3O4S/c1-18-5-11-24-22(16-18)26(27-23-10-4-19(2)17-25(23)33-24)28-12-14-29(15-13-28)34(30,31)21-8-6-20(32-3)7-9-21/h4-11,16-17H,12-15H2,1-3H3