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

Systemtic Name: pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate sulfate Openeye Name: 3-pyridylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate sulfate CAS Name: N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester sulfate IUPAC Name: pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate sulfate Traditional Name: N-[4-[(2-aminophenyl)carbamoyl]benzyl]carbamic acid 3-pyridylmethyl ester sulfate Formula: C21H20N4O7S-2 MolecularWeight: 472.4711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3.H2O4S/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);(H2,1,2,3,4)/p-2