methyl 4-[[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl-methylamino]methyl]benzoate Traditional Name: 4-[[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N(C)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N(C)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O5S/c1-15(24)23-12-4-5-18-13-19(10-11-20(18)23)29(26,27)22(2)14-16-6-8-17(9-7-16)21(25)28-3/h6-11,13H,4-5,12,14H2,1-3H3