[4-[2-(diphenylmethyl)sulfinylethanoylcarbamoyl]phenyl]methyl nitrate

Systemtic Name: [4-[2-(diphenylmethyl)sulfinylethanoylcarbamoyl]phenyl]methyl nitrate Openeye Name: [4-[(2-benzhydrylsulfinylacetyl)carbamoyl]phenyl]methyl nitrate CAS Name: nitric acid [4-[[[2-(diphenylmethyl)sulfinyl-1-oxoethyl]amino]-oxomethyl]phenyl]methyl ester IUPAC Name: [4-[(2-benzhydrylsulfinylacetyl)carbamoyl]phenyl]methyl nitrate Traditional Name: nitric acid [4-[(2-benzhydrylsulfinylacetyl)carbamoyl]benzyl] ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NC(=O)C3=CC=C(C=C3)CO[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NC(=O)C3=CC=C(C=C3)CO[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O6S/c26-21(24-23(27)20-13-11-17(12-14-20)15-31-25(28)29)16-32(30)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,15-16H2,(H,24,26,27)