9-methoxy-2-methyl-6-[3-methyl-4-(phenylmethyl)sulfonyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine

Systemtic Name: 9-methoxy-2-methyl-6-[3-methyl-4-(phenylmethyl)sulfonyl-piperazin-1-yl]benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-benzylsulfonyl-3-methyl-piperazin-1-yl)-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-2-methyl-6-[3-methyl-4-(phenylmethyl)sulfonyl-1-piperazinyl]benzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-benzylsulfonyl-3-methylpiperazin-1-yl)-9-methoxy-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-(4-benzylsulfonyl-3-methyl-piperazino)-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)CC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=CC(=C5)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)CC2=CC=CC=C2)C3=NC4=C(C=C(C=C4)C)OC5=C3C=CC(=C5)OC

InChI

InChI=1S/C27H29N3O4S/c1-19-9-12-24-26(15-19)34-25-16-22(33-3)10-11-23(25)27(28-24)29-13-14-30(20(2)17-29)35(31,32)18-21-7-5-4-6-8-21/h4-12,15-16,20H,13-14,17-18H2,1-3H3