2-(aminocarbonylamino)-3-(1-methyl-2-oxidanylidene-1,5-diphenyl-3H-1,4-benzodiazepin-1-ium-3-yl)benzenesulfinic acid

Systemtic Name: 2-(aminocarbonylamino)-3-(1-methyl-2-oxidanylidene-1,5-diphenyl-3H-1,4-benzodiazepin-1-ium-3-yl)benzenesulfinic acid Openeye Name: 3-(1-methyl-2-oxo-1,5-diphenyl-3H-1,4-benzodiazepin-1-ium-3-yl)-2-ureido-benzenesulfinic acid CAS Name: 2-(carbamoylamino)-3-(1-methyl-2-oxo-1,5-diphenyl-3H-1,4-benzodiazepin-1-ium-3-yl)benzenesulfinic acid IUPAC Name: 2-(carbamoylamino)-3-(1-methyl-2-oxo-1,5-diphenyl-3H-1,4-benzodiazepin-1-ium-3-yl)benzenesulfinic acid Traditional Name: 3-(2-keto-1-methyl-1,5-diphenyl-3H-1,4-benzodiazepin-1-ium-3-yl)-2-ureido-benzenesulfinic acid Formula: C29H25N4O4S+ MolecularWeight: 525.5982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N4O4S/c1-33(20-13-6-3-7-14-20)23-17-9-8-15-21(23)25(19-11-4-2-5-12-19)31-27(28(33)34)22-16-10-18-24(38(36)37)26(22)32-29(30)35/h2-18,27H,1H3,(H3-,30,32,35,36,37)/p+1