N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide

Systemtic Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Openeye Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide CAS Name: N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide IUPAC Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Traditional Name: 2,4-diketo-N-(2-morpholino-1,3-benzothiazol-6-yl)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Formula: C20H19N5O5S2 MolecularWeight: 473.52536

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)CC(=O)N5

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)CC(=O)N5

InChI

InChI=1S/C20H19N5O5S2/c26-18-11-19(27)22-16-10-13(2-4-14(16)21-18)32(28,29)24-12-1-3-15-17(9-12)31-20(23-15)25-5-7-30-8-6-25/h1-4,9-10,24H,5-8,11H2,(H,21,26)(H,22,27)