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

Systemtic Name: 6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-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=CC(=C5)OC

Isomeric SMILES

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

InChI

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