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

Systemtic Name: 4-[methyl-(phenylmethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzyl(methyl)amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: 4-[methyl-(phenylmethyl)amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: 4-[benzyl(methyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: 4-[benzyl(methyl)amino]-4-keto-3-(2-naphthylsulfonylamino)butyric acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O5S/c1-24(15-16-7-3-2-4-8-16)22(27)20(14-21(25)26)23-30(28,29)19-12-11-17-9-5-6-10-18(17)13-19/h2-13,20,23H,14-15H2,1H3,(H,25,26)