4-[6-chloranyl-4-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[6-chloranyl-4-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[6-chloro-4-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[6-chloro-4-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[6-chloro-4-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[6-chloro-4-(3-mesylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid Formula: C20H22ClN3O7S2 MolecularWeight: 515.98758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOC3=C2C=C(C=C3N4CCN(CC4)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOC3=C2C=C(C=C3N4CCN(CC4)C(=O)O)Cl

InChI

InChI=1S/C20H22ClN3O7S2/c1-32(27,28)15-3-2-4-16(13-15)33(29,30)24-9-10-31-19-17(11-14(21)12-18(19)24)22-5-7-23(8-6-22)20(25)26/h2-4,11-13H,5-10H2,1H3,(H,25,26)