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

Systemtic Name: quinolin-8-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: 8-quinolylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid 8-quinolylmethyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4S/c1-14(2)19(24-29(26,27)18-10-8-17(22)9-11-18)21(25)28-13-16-6-3-5-15-7-4-12-23-20(15)16/h3-12,14,19,24H,13H2,1-2H3/t19-/m0/s1