3-[naphthalen-2-ylsulfonyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[naphthalen-2-ylsulfonyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[benzyl(2-naphthylsulfonyl)amino]-4-oxo-butanoic acid CAS Name: 3-[2-naphthalenylsulfonyl-(phenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 3-[benzyl(naphthalen-2-ylsulfonyl)amino]-4-oxobutanoic acid Traditional Name: 3-[benzyl(2-naphthylsulfonyl)amino]-4-keto-butyric acid Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C(CC(=O)O)C=O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CN(C(CC(=O)O)C=O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H19NO5S/c23-15-19(13-21(24)25)22(14-16-6-2-1-3-7-16)28(26,27)20-11-10-17-8-4-5-9-18(17)12-20/h1-12,15,19H,13-14H2,(H,24,25)