6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methoxy-2-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methoxy-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methoxy-2-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methoxy-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C30H35N3O4S MolecularWeight: 533.6816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O4S/c1-21-7-13-26-28(19-21)37-27-14-10-23(36-5)20-25(27)29(31-26)32-15-6-16-33(18-17-32)38(34,35)24-11-8-22(9-12-24)30(2,3)4/h7-14,19-20H,6,15-18H2,1-5H3