2-[1-[(4-methoxy-5-methyl-cyclohex-3-en-1-yl)sulfonylamino]naphthalen-2-yl]propanedioic acid

Systemtic Name: 2-[1-[(4-methoxy-5-methyl-cyclohex-3-en-1-yl)sulfonylamino]naphthalen-2-yl]propanedioic acid Openeye Name: 2-[1-[(4-methoxy-5-methyl-cyclohex-3-en-1-yl)sulfonylamino]-2-naphthyl]propanedioic acid CAS Name: 2-[1-[(4-methoxy-5-methyl-1-cyclohex-3-enyl)sulfonylamino]-2-naphthalenyl]propanedioic acid IUPAC Name: 2-[1-[(4-methoxy-5-methylcyclohex-3-en-1-yl)sulfonylamino]naphthalen-2-yl]propanedioic acid Traditional Name: 2-[1-[(4-methoxy-5-methyl-cyclohex-3-en-1-yl)sulfonylamino]-2-naphthyl]malonic acid Formula: C21H23NO7S MolecularWeight: 433.47482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC=C1OC)S(=O)(=O)NC2=C(C=CC3=CC=CC=C32)C(C(=O)O)C(=O)O

Isomeric SMILES

CC1CC(CC=C1OC)S(=O)(=O)NC2=C(C=CC3=CC=CC=C32)C(C(=O)O)C(=O)O

InChI

InChI=1S/C21H23NO7S/c1-12-11-14(8-10-17(12)29-2)30(27,28)22-19-15-6-4-3-5-13(15)7-9-16(19)18(20(23)24)21(25)26/h3-7,9-10,12,14,18,22H,8,11H2,1-2H3,(H,23,24)(H,25,26)