2-azanyl-3-(4-cyanophenyl)-2,3-dimethyl-6-(naphthalen-2-ylsulfonylamino)-5-oxidanylidene-heptanoic acid

Systemtic Name: 2-azanyl-3-(4-cyanophenyl)-2,3-dimethyl-6-(naphthalen-2-ylsulfonylamino)-5-oxidanylidene-heptanoic acid Openeye Name: 2-amino-3-(4-cyanophenyl)-2,3-dimethyl-6-(2-naphthylsulfonylamino)-5-oxo-heptanoic acid CAS Name: 2-amino-3-(4-cyanophenyl)-2,3-dimethyl-6-(2-naphthalenylsulfonylamino)-5-oxoheptanoic acid IUPAC Name: 2-amino-3-(4-cyanophenyl)-2,3-dimethyl-6-(naphthalen-2-ylsulfonylamino)-5-oxoheptanoic acid Traditional Name: 2-amino-3-(4-cyanophenyl)-5-keto-2,3-dimethyl-6-(2-naphthylsulfonylamino)enanthic acid Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CC(C)(C1=CC=C(C=C1)C#N)C(C)(C(=O)O)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)CC(C)(C1=CC=C(C=C1)C#N)C(C)(C(=O)O)N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H27N3O5S/c1-17(29-35(33,34)22-13-10-19-6-4-5-7-20(19)14-22)23(30)15-25(2,26(3,28)24(31)32)21-11-8-18(16-27)9-12-21/h4-14,17,29H,15,28H2,1-3H3,(H,31,32)