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

Systemtic Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 8-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazino]-2-methyl-benzo[b][1,4]benzoxazepine Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=CC(=C3)OC)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

InChI

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