10-chloranyl-1-methyl-5,5-bis(oxidanylidene)-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carbaldehyde

Systemtic Name: 10-chloranyl-1-methyl-5,5-bis(oxidanylidene)-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carbaldehyde Openeye Name: 10-chloro-1-methyl-5,5-dioxo-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carbaldehyde CAS Name: 10-chloro-1-methyl-5,5-dioxo-8-(1-piperazinyl)-6H-benzo[b][1,5]benzoxathiepin-3-carboxaldehyde IUPAC Name: 10-chloro-1-methyl-5,5-dioxo-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carbaldehyde Traditional Name: 10-chloro-5,5-diketo-1-methyl-8-piperazino-6H-benzo[b][1,5]benzoxathiepin-3-carbaldehyde Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C=O)S(=O)(=O)CC3=CC(=CC(=C3O2)Cl)N4CCNCC4

Isomeric SMILES

CC1=C2C(=CC(=C1)C=O)S(=O)(=O)CC3=CC(=CC(=C3O2)Cl)N4CCNCC4

InChI

InChI=1S/C19H19ClN2O4S/c1-12-6-13(10-23)7-17-18(12)26-19-14(11-27(17,24)25)8-15(9-16(19)20)22-4-2-21-3-5-22/h6-10,21H,2-5,11H2,1H3