9-methoxy-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonyl-1-piperazinyl]-2-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 9-methoxy-6-[4-(3-methoxyphenyl)sulfonylpiperazino]-2-methyl-benzo[b][1,4]benzoxazepine Formula: C26H27N3O5S MolecularWeight: 493.57468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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