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

Systemtic Name: 8-methyl-6-(3-methyl-4-methylsulfonyl-piperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 8-methyl-6-(3-methyl-4-methylsulfonyl-piperazin-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 8-methyl-6-(3-methyl-4-methylsulfonyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 8-methyl-6-(3-methyl-4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-mesyl-3-methyl-piperazino)-8-methyl-benzo[b][1,4]benzoxazepine Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-14-8-9-18-16(12-14)20(21-17-6-4-5-7-19(17)26-18)22-10-11-23(15(2)13-22)27(3,24)25/h4-9,12,15H,10-11,13H2,1-3H3