3-[[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]carbamoyl]-5-(naphthalen-2-ylsulfonylamino)benzoic acid

Systemtic Name: 3-[[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]carbamoyl]-5-(naphthalen-2-ylsulfonylamino)benzoic acid Openeye Name: 3-[(3-amino-1-benzyl-2,3-dioxo-propyl)carbamoyl]-5-(2-naphthylsulfonylamino)benzoic acid CAS Name: 3-[[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)amino]-oxomethyl]-5-(2-naphthalenylsulfonylamino)benzoic acid IUPAC Name: 3-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-5-(naphthalen-2-ylsulfonylamino)benzoic acid Traditional Name: 3-[(3-amino-1-benzyl-2,3-diketo-propyl)carbamoyl]-5-(2-naphthylsulfonylamino)benzoic acid Formula: C28H23N3O7S MolecularWeight: 545.56312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(=O)N)NC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C(=O)N)NC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C28H23N3O7S/c29-26(33)25(32)24(12-17-6-2-1-3-7-17)30-27(34)20-13-21(28(35)36)15-22(14-20)31-39(37,38)23-11-10-18-8-4-5-9-19(18)16-23/h1-11,13-16,24,31H,12H2,(H2,29,33)(H,30,34)(H,35,36)