2-azanyl-N-(cyanomethyl)-3-(phenylmethyl)sulfonyl-propanamide; methanesulfonic acid

Systemtic Name: 2-azanyl-N-(cyanomethyl)-3-(phenylmethyl)sulfonyl-propanamide; methanesulfonic acid Openeye Name: 2-amino-3-benzylsulfonyl-N-(cyanomethyl)propanamide; methanesulfonic acid CAS Name: 2-amino-N-(cyanomethyl)-3-(phenylmethyl)sulfonylpropanamide; methanesulfonic acid IUPAC Name: 2-amino-3-benzylsulfonyl-N-(cyanomethyl)propanamide; methanesulfonic acid Traditional Name: 2-amino-3-benzylsulfonyl-N-(cyanomethyl)propionamide; mesylic acid Formula: C13H19N3O6S2 MolecularWeight: 377.43646

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCC#N)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCC#N)N

InChI

InChI=1S/C12H15N3O3S.CH4O3S/c13-6-7-15-12(16)11(14)9-19(17,18)8-10-4-2-1-3-5-10;1-5(2,3)4/h1-5,11H,7-9,14H2,(H,15,16);1H3,(H,2,3,4)