3-azanyl-4-[[2-(2-naphthalen-2-ylsulfonylethyl)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[2-(2-naphthalen-2-ylsulfonylethyl)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-[2-(2-naphthylsulfonyl)ethyl]benzoyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[[2-[2-(2-naphthalenylsulfonyl)ethyl]phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[2-(2-naphthalen-2-ylsulfonylethyl)benzoyl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-[2-(2-naphthylsulfonyl)ethyl]benzoyl]amino]butyric acid Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CCC3=CC=CC=C3C(=O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CCC3=CC=CC=C3C(=O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C23H22N2O6S/c24-20(14-21(26)27)23(29)25-22(28)19-8-4-3-6-16(19)11-12-32(30,31)18-10-9-15-5-1-2-7-17(15)13-18/h1-10,13,20H,11-12,14,24H2,(H,26,27)(H,25,28,29)