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

Systemtic Name: 10-chloranyl-N-cyclopropyl-1-methyl-5,5-bis(oxidanylidene)-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carboxamide Openeye Name: 10-chloro-N-cyclopropyl-1-methyl-5,5-dioxo-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carboxamide CAS Name: 10-chloro-N-cyclopropyl-1-methyl-5,5-dioxo-8-(1-piperazinyl)-6H-benzo[b][1,5]benzoxathiepin-3-carboxamide IUPAC Name: 10-chloro-N-cyclopropyl-1-methyl-5,5-dioxo-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carboxamide Traditional Name: 10-chloro-N-cyclopropyl-5,5-diketo-1-methyl-8-piperazino-6H-benzo[b][1,5]benzoxathiepin-3-carboxamide Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C(=O)NC3CC3)S(=O)(=O)CC4=CC(=CC(=C4O2)Cl)N5CCNCC5

Isomeric SMILES

CC1=C2C(=CC(=C1)C(=O)NC3CC3)S(=O)(=O)CC4=CC(=CC(=C4O2)Cl)N5CCNCC5

InChI

InChI=1S/C22H24ClN3O4S/c1-13-8-14(22(27)25-16-2-3-16)10-19-20(13)30-21-15(12-31(19,28)29)9-17(11-18(21)23)26-6-4-24-5-7-26/h8-11,16,24H,2-7,12H2,1H3,(H,25,27)