6-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methoxy-2-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]-8-methoxy-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-1-piperazinyl]-8-methoxy-2-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-tert-butylphenyl)sulfonyl-3-methylpiperazin-1-yl]-8-methoxy-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazino]-8-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C30H35N3O4S MolecularWeight: 533.6816

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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=C(C=C(C=C4)C)OC5=C3C=C(C=C5)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC4=C(C=C(C=C4)C)OC5=C3C=C(C=C5)OC

InChI

InChI=1S/C30H35N3O4S/c1-20-7-13-26-28(17-20)37-27-14-10-23(36-6)18-25(27)29(31-26)32-15-16-33(21(2)19-32)38(34,35)24-11-8-22(9-12-24)30(3,4)5/h7-14,17-18,21H,15-16,19H2,1-6H3