9-methoxy-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

Systemtic Name: 9-methoxy-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 9-methoxy-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-2-methyl-6-(4-methylsulfonyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 9-methoxy-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-mesylpiperazino)-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCN(CC4)S(=O)(=O)C

InChI

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