methyl 2-[1-(3-methylquinolin-8-yl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(3-methylquinolin-8-yl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[(3-methyl-8-quinolyl)sulfonyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-methyl-8-quinolinyl)sulfonyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(3-methylquinolin-8-yl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3-methyl-8-quinolyl)sulfonyl]piperazin-2-yl]acetic acid methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCNC(=O)C3CC(=O)OC

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCNC(=O)C3CC(=O)OC

InChI

InChI=1S/C17H19N3O5S/c1-11-8-12-4-3-5-14(16(12)19-10-11)26(23,24)20-7-6-18-17(22)13(20)9-15(21)25-2/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,18,22)