2-[(4-azanyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-6-yl)sulfonyl]-3-cyanoimino-2-phenylazanyl-propanoic acid

Systemtic Name: 2-[(4-azanyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-6-yl)sulfonyl]-3-cyanoimino-2-phenylazanyl-propanoic acid Openeye Name: 2-(4-amino-3-hydroxy-2,2-dimethyl-chroman-6-yl)sulfonyl-2-anilino-3-cyanoimino-propanoic acid CAS Name: 2-[(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonyl]-2-anilino-3-cyanoiminopropanoic acid IUPAC Name: 2-[(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]-2-anilino-3-cyanoiminopropanoic acid Traditional Name: 2-(4-amino-3-hydroxy-2,2-dimethyl-chroman-6-yl)sulfonyl-2-anilino-3-cyanoimino-propionic acid Formula: C21H22N4O6S MolecularWeight: 458.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C(C=NC#N)(C(=O)O)NC3=CC=CC=C3)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C(C=NC#N)(C(=O)O)NC3=CC=CC=C3)N)O)C

InChI

InChI=1S/C21H22N4O6S/c1-20(2)18(26)17(23)15-10-14(8-9-16(15)31-20)32(29,30)21(19(27)28,11-24-12-22)25-13-6-4-3-5-7-13/h3-11,17-18,25-26H,23H2,1-2H3,(H,27,28)