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

Systemtic Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-8-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-8-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=C(C=C5)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

InChI

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