6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methyl-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=CC=CC=C3N=C2N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H27N3O4S/c1-19-8-13-24-22(18-19)26(27-23-6-3-4-7-25(23)33-24)28-14-5-15-29(17-16-28)34(30,31)21-11-9-20(32-2)10-12-21/h3-4,6-13,18H,5,14-17H2,1-2H3