[2-[3-(cyanomethylamino)-3-oxidanylidene-2-(sulfonylmethyl)propyl]-4-phenyl-phenyl]carbamic acid

Systemtic Name: [2-[3-(cyanomethylamino)-3-oxidanylidene-2-(sulfonylmethyl)propyl]-4-phenyl-phenyl]carbamic acid Openeye Name: [2-[3-(cyanomethylamino)-3-oxo-2-(sulfonylmethyl)propyl]-4-phenyl-phenyl]carbamic acid CAS Name: [2-[3-(cyanomethylamino)-3-oxo-2-(sulfonylmethyl)propyl]-4-phenylphenyl]carbamic acid IUPAC Name: [2-[3-(cyanomethylamino)-3-oxo-2-(sulfonylmethyl)propyl]-4-phenylphenyl]carbamic acid Traditional Name: [2-[3-(cyanomethylamino)-3-keto-2-(sulfonylmethyl)propyl]-4-phenyl-phenyl]carbamic acid Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)O)CC(C=S(=O)=O)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)O)CC(C=S(=O)=O)C(=O)NCC#N

InChI

InChI=1S/C19H17N3O5S/c20-8-9-21-18(23)16(12-28(26)27)11-15-10-14(13-4-2-1-3-5-13)6-7-17(15)22-19(24)25/h1-7,10,12,16,22H,9,11H2,(H,21,23)(H,24,25)