ethyl 2-[(2-azanylquinolin-3-yl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[(2-azanylquinolin-3-yl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: ethyl 2-[(2-amino-3-quinolyl)methyl-(p-tolylsulfonyl)amino]acetate CAS Name: 2-[(2-amino-3-quinolinyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-aminoquinolin-3-yl)methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[(2-amino-3-quinolyl)methyl-tosyl-amino]acetic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC2=CC=CC=C2N=C1N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN(CC1=CC2=CC=CC=C2N=C1N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3O4S/c1-3-28-20(25)14-24(29(26,27)18-10-8-15(2)9-11-18)13-17-12-16-6-4-5-7-19(16)23-21(17)22/h4-12H,3,13-14H2,1-2H3,(H2,22,23)