N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide IUPAC Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Traditional Name: 2,4-diketo-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Formula: C21H25N4O5S+ MolecularWeight: 445.512

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC(=O)N4

Isomeric SMILES

C1COCC[NH+]1C[C@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC(=O)N4

InChI

InChI=1S/C21H24N4O5S/c26-20-13-21(27)23-18-12-16(6-7-17(18)22-20)31(28,29)24-19(15-4-2-1-3-5-15)14-25-8-10-30-11-9-25/h1-7,12,19,24H,8-11,13-14H2,(H,22,26)(H,23,27)/p+1/t19-/m1/s1