4-[2-cyanoethyl(cyclopropyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-cyanoethyl(cyclopropyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-cyanoethyl(cyclopropyl)amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: 4-[2-cyanoethyl(cyclopropyl)amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: 4-[2-cyanoethyl(cyclopropyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: 4-[2-cyanoethyl(cyclopropyl)amino]-4-keto-3-(2-naphthylsulfonylamino)butyric acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCC#N)C(=O)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CC1N(CCC#N)C(=O)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H21N3O5S/c21-10-3-11-23(16-7-8-16)20(26)18(13-19(24)25)22-29(27,28)17-9-6-14-4-1-2-5-15(14)12-17/h1-2,4-6,9,12,16,18,22H,3,7-8,11,13H2,(H,24,25)