9-methoxy-2-methyl-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 9-methoxy-2-methyl-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-2-methyl-6-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]benzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-9-methoxy-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-benzylsulfonyl-1,4-diazepan-1-yl)-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O4S/c1-20-9-12-24-26(17-20)34-25-18-22(33-2)10-11-23(25)27(28-24)29-13-6-14-30(16-15-29)35(31,32)19-21-7-4-3-5-8-21/h3-5,7-12,17-18H,6,13-16,19H2,1-2H3