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quinolin-2-ylmethyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate

quinolin-2-ylmethyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name:quinolin-2-ylmethyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
Openeye Name:2-quinolylmethyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
CAS Name:3-[(2,4-dimethylphenyl)sulfonylamino]propanoic acid 2-quinolinylmethyl ester
IUPAC Name:quinolin-2-ylmethyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
Traditional Name:3-[(2,4-dimethylphenyl)sulfonylamino]propionic acid 2-quinolylmethyl ester
Formula: C21H22N2O4S
MolecularWeight: 398.47538
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC3=CC=CC=C3C=C2)C


Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC3=CC=CC=C3C=C2)C


InChI

InChI=1S/C21H22N2O4S/c1-15-7-10-20(16(2)13-15)28(25,26)22-12-11-21(24)27-14-18-9-8-17-5-3-4-6-19(17)23-18/h3-10,13,22H,11-12,14H2,1-2H3


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