6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-10-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-10-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

InChI

InChI=1S/C29H33N3O4S/c1-29(2,3)21-13-15-22(16-14-21)37(33,34)32-18-8-17-31(19-20-32)28-23-9-7-12-26(35-4)27(23)36-25-11-6-5-10-24(25)30-28/h5-7,9-16H,8,17-20H2,1-4H3