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

Systemtic Name: 9-methoxy-6-(4-propan-2-ylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-isopropylsulfonylpiperazin-1-yl)-9-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-6-(4-propan-2-ylsulfonyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 9-methoxy-6-(4-propan-2-ylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-isopropylsulfonylpiperazino)-9-methoxy-benzo[b][1,4]benzoxazepine Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=CC(=C4)OC

Isomeric SMILES

CC(C)S(=O)(=O)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=CC(=C4)OC

InChI

InChI=1S/C21H25N3O4S/c1-15(2)29(25,26)24-12-10-23(11-13-24)21-17-9-8-16(27-3)14-20(17)28-19-7-5-4-6-18(19)22-21/h4-9,14-15H,10-13H2,1-3H3