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

Systemtic Name: 1-methylsulfonyl-N-[3-(thiophen-2-ylcarbonylamino)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: 1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: 1-methylsulfonyl-N-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: 1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-[3-(2-thenoylamino)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H21N3O4S2/c1-31(28,29)25-11-3-5-15-13-16(9-10-19(15)25)21(26)23-17-6-2-7-18(14-17)24-22(27)20-8-4-12-30-20/h2,4,6-10,12-14H,3,5,11H2,1H3,(H,23,26)(H,24,27)