1-[[2-(1-methyl-2-oxidanylidene-1,5-diphenyl-3H-1,4-benzodiazepin-1-ium-3-yl)phenyl]carbonyl-methylsulfonyl-amino]urea

Systemtic Name: 1-[[2-(1-methyl-2-oxidanylidene-1,5-diphenyl-3H-1,4-benzodiazepin-1-ium-3-yl)phenyl]carbonyl-methylsulfonyl-amino]urea Openeye Name: [[2-(1-methyl-2-oxo-1,5-diphenyl-3H-1,4-benzodiazepin-1-ium-3-yl)benzoyl]-methylsulfonyl-amino]urea CAS Name: [[[2-(1-methyl-2-oxo-1,5-diphenyl-3H-1,4-benzodiazepin-1-ium-3-yl)phenyl]-oxomethyl]-methylsulfonylamino]urea IUPAC Name: [[2-(1-methyl-2-oxo-1,5-diphenyl-3H-1,4-benzodiazepin-1-ium-3-yl)benzoyl]-methylsulfonylamino]urea Traditional Name: [[2-(2-keto-1-methyl-1,5-diphenyl-3H-1,4-benzodiazepin-1-ium-3-yl)benzoyl]-mesyl-amino]urea Formula: C31H28N5O5S+ MolecularWeight: 582.64952

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2C(=NC(C1=O)C3=CC=CC=C3C(=O)N(NC(=O)N)S(=O)(=O)C)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[N+]1(C2=CC=CC=C2C(=NC(C1=O)C3=CC=CC=C3C(=O)N(NC(=O)N)S(=O)(=O)C)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27N5O5S/c1-36(22-15-7-4-8-16-22)26-20-12-11-19-25(26)27(21-13-5-3-6-14-21)33-28(30(36)38)23-17-9-10-18-24(23)29(37)35(34-31(32)39)42(2,40)41/h3-20,28H,1-2H3,(H2-,32,34,39)/p+1