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

Systemtic Name: 8-methyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-isopropylsulfonylpiperazin-1-yl)-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 8-methyl-6-(4-propan-2-ylsulfonyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 8-methyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-isopropylsulfonylpiperazino)-8-methyl-benzo[b][1,4]benzoxazepine Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H25N3O3S/c1-15(2)28(25,26)24-12-10-23(11-13-24)21-17-14-16(3)8-9-19(17)27-20-7-5-4-6-18(20)22-21/h4-9,14-15H,10-13H2,1-3H3