6-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-8-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-tert-butylphenyl)sulfonylpiperazino]-8-methyl-benzo[b][1,4]benzoxazepine Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C28H31N3O3S/c1-20-9-14-25-23(19-20)27(29-24-7-5-6-8-26(24)34-25)30-15-17-31(18-16-30)35(32,33)22-12-10-21(11-13-22)28(2,3)4/h5-14,19H,15-18H2,1-4H3