4-[[3-(aminomethyl)phenyl]amino]-6-methylsulfonyl-quinoline-3-carboxamide

Systemtic Name: 4-[[3-(aminomethyl)phenyl]amino]-6-methylsulfonyl-quinoline-3-carboxamide Openeye Name: 4-[3-(aminomethyl)anilino]-6-methylsulfonyl-quinoline-3-carboxamide CAS Name: 4-[3-(aminomethyl)anilino]-6-methylsulfonyl-3-quinolinecarboxamide IUPAC Name: 4-[3-(aminomethyl)anilino]-6-methylsulfonylquinoline-3-carboxamide Traditional Name: 4-[3-(aminomethyl)anilino]-6-mesyl-quinoline-3-carboxamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)N)NC3=CC=CC(=C3)CN

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)N)NC3=CC=CC(=C3)CN

InChI

InChI=1S/C18H18N4O3S/c1-26(24,25)13-5-6-16-14(8-13)17(15(10-21-16)18(20)23)22-12-4-2-3-11(7-12)9-19/h2-8,10H,9,19H2,1H3,(H2,20,23)(H,21,22)