methanesulfonate; pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate

Systemtic Name: methanesulfonate; pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate Openeye Name: methanesulfonate; 3-pyridylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester; methanesulfonate IUPAC Name: methanesulfonate; pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(2-aminophenyl)carbamoyl]benzyl]carbamic acid 3-pyridylmethyl ester mesylate Formula: C22H23N4O6S- MolecularWeight: 471.50622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3

InChI

InChI=1S/C21H20N4O3.CH4O3S/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16;1-5(2,3)4/h1-12H,13-14,22H2,(H,24,27)(H,25,26);1H3,(H,2,3,4)/p-1