quinolin-8-ylmethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: quinolin-8-ylmethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: 8-quinolylmethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyric acid 8-quinolylmethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC2=C1N=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC2=C1N=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N2O5S/c1-15(2)20(24-30(26,27)19-11-9-18(28-3)10-12-19)22(25)29-14-17-7-4-6-16-8-5-13-23-21(16)17/h4-13,15,20,24H,14H2,1-3H3/t20-/m0/s1