6-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methoxy-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-1-piperazinyl]-8-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-tert-butylphenyl)sulfonyl-3-methylpiperazin-1-yl]-8-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazino]-8-methoxy-benzo[b][1,4]benzoxazepine Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

InChI

InChI=1S/C29H33N3O4S/c1-20-19-31(16-17-32(20)37(33,34)23-13-10-21(11-14-23)29(2,3)4)28-24-18-22(35-5)12-15-26(24)36-27-9-7-6-8-25(27)30-28/h6-15,18,20H,16-17,19H2,1-5H3