1-methylsulfonyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]-3,4-dihydro-2H-quinoline-6-carboximidate

Systemtic Name: 1-methylsulfonyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]-3,4-dihydro-2H-quinoline-6-carboximidate Openeye Name: 1-methylsulfonyl-N-[2-(2-thienylsulfonylamino)phenyl]-3,4-dihydro-2H-quinoline-6-carboximidate CAS Name: 1-methylsulfonyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]-3,4-dihydro-2H-quinoline-6-carboximidate IUPAC Name: 1-methylsulfonyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]-3,4-dihydro-2H-quinoline-6-carboximidate Traditional Name: 1-mesyl-N-[2-(2-thienylsulfonylamino)phenyl]-3,4-dihydro-2H-quinoline-6-carboximidate Formula: C21H20N3O5S3- MolecularWeight: 490.5956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=NC3=CC=CC=C3NS(=O)(=O)C4=CC=CS4)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=NC3=CC=CC=C3NS(=O)(=O)C4=CC=CS4)[O-]

InChI

InChI=1S/C21H21N3O5S3/c1-31(26,27)24-12-4-6-15-14-16(10-11-19(15)24)21(25)22-17-7-2-3-8-18(17)23-32(28,29)20-9-5-13-30-20/h2-3,5,7-11,13-14,23H,4,6,12H2,1H3,(H,22,25)/p-1