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

Systemtic Name: 9-methoxy-6-(3-methyl-4-methylsulfonyl-piperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 9-methoxy-6-(3-methyl-4-methylsulfonyl-piperazin-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-6-(3-methyl-4-methylsulfonyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 9-methoxy-6-(3-methyl-4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-mesyl-3-methyl-piperazino)-9-methoxy-benzo[b][1,4]benzoxazepine Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C)C2=NC3=CC=CC=C3OC4=C2C=CC(=C4)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C)C2=NC3=CC=CC=C3OC4=C2C=CC(=C4)OC

InChI

InChI=1S/C20H23N3O4S/c1-14-13-22(10-11-23(14)28(3,24)25)20-16-9-8-15(26-2)12-19(16)27-18-7-5-4-6-17(18)21-20/h4-9,12,14H,10-11,13H2,1-3H3