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

Systemtic Name: 9-methoxy-2-methyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-isopropylsulfonylpiperazin-1-yl)-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-2-methyl-6-(4-propan-2-ylsulfonyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 9-methoxy-2-methyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-isopropylsulfonylpiperazino)-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C22H27N3O4S MolecularWeight: 429.53248

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-15(2)30(26,27)25-11-9-24(10-12-25)22-18-7-6-17(28-4)14-20(18)29-21-13-16(3)5-8-19(21)23-22/h5-8,13-15H,9-12H2,1-4H3