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

Systemtic Name: 10-chloranyl-1-methyl-5,5-bis(oxidanylidene)-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carboxylic acid Openeye Name: 10-chloro-1-methyl-5,5-dioxo-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carboxylic acid CAS Name: 10-chloro-1-methyl-5,5-dioxo-8-(1-piperazinyl)-6H-benzo[b][1,5]benzoxathiepin-3-carboxylic acid IUPAC Name: 10-chloro-1-methyl-5,5-dioxo-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carboxylic acid Traditional Name: 10-chloro-5,5-diketo-1-methyl-8-piperazino-6H-benzo[b][1,5]benzoxathiepin-3-carboxylic acid Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5S/c1-11-6-12(19(23)24)8-16-17(11)27-18-13(10-28(16,25)26)7-14(9-15(18)20)22-4-2-21-3-5-22/h6-9,21H,2-5,10H2,1H3,(H,23,24)