2,8-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

Systemtic Name: 2,8-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 2,8-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 2,8-dimethyl-6-(4-methylsulfonyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 2,8-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-mesylpiperazino)-2,8-dimethyl-benzo[b][1,4]benzoxazepine Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)C)N=C2N4CCN(CC4)S(=O)(=O)C

InChI

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