3-[[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-[[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-[[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: 3-[[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]hydrazo]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]carbamoyl]benzenesulfonamide Formula: C20H18ClN5O4S2 MolecularWeight: 491.97102

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H18ClN5O4S2/c1-31-20-22-12-16(21)17(24-20)19(28)26-25-18(27)14-8-5-9-15(10-14)32(29,30)23-11-13-6-3-2-4-7-13/h2-10,12,23H,11H2,1H3,(H,25,27)(H,26,28)