6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-methoxyphenyl)sulfonyl-1-piperazinyl]-8-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-methoxyphenyl)sulfonylpiperazino]-8-methyl-benzo[b][1,4]benzoxazepine Formula: C25H25N3O4S MolecularWeight: 463.5487

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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=CC(=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-18-10-11-23-21(16-18)25(26-22-8-3-4-9-24(22)32-23)27-12-14-28(15-13-27)33(29,30)20-7-5-6-19(17-20)31-2/h3-11,16-17H,12-15H2,1-2H3