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

Systemtic Name: 6-(3-methyl-4-methylsulfonyl-piperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 6-(3-methyl-4-methylsulfonyl-piperazin-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 6-(3-methyl-4-methylsulfonyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 6-(3-methyl-4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-mesyl-3-methyl-piperazino)benzo[b][1,4]benzoxazepine Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C)C2=NC3=CC=CC=C3OC4=CC=CC=C42

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C)C2=NC3=CC=CC=C3OC4=CC=CC=C42

InChI

InChI=1S/C19H21N3O3S/c1-14-13-21(11-12-22(14)26(2,23)24)19-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)20-19/h3-10,14H,11-13H2,1-2H3