8-ethyl-6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide

Systemtic Name: 8-ethyl-6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide Openeye Name: 8-ethyl-6-methylsulfonyl-4-(3-pyridylamino)quinoline-3-carboxamide CAS Name: 8-ethyl-6-methylsulfonyl-4-(3-pyridinylamino)-3-quinolinecarboxamide IUPAC Name: 8-ethyl-6-methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide Traditional Name: 8-ethyl-6-mesyl-4-(3-pyridylamino)quinoline-3-carboxamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)S(=O)(=O)C)C(=C(C=N2)C(=O)N)NC3=CN=CC=C3

Isomeric SMILES

CCC1=C2C(=CC(=C1)S(=O)(=O)C)C(=C(C=N2)C(=O)N)NC3=CN=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-3-11-7-13(26(2,24)25)8-14-16(11)21-10-15(18(19)23)17(14)22-12-5-4-6-20-9-12/h4-10H,3H2,1-2H3,(H2,19,23)(H,21,22)