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

Systemtic Name: 6-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-8-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-8-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-8-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-8-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-tert-butylphenyl)sulfonylpiperazino]-8-methoxy-benzo[b][1,4]benzoxazepine Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4OC5=C3C=C(C=C5)OC

InChI

InChI=1S/C28H31N3O4S/c1-28(2,3)20-9-12-22(13-10-20)36(32,33)31-17-15-30(16-18-31)27-23-19-21(34-4)11-14-25(23)35-26-8-6-5-7-24(26)29-27/h5-14,19H,15-18H2,1-4H3