methyl 3-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[3-[(3,4-dimethylphenyl)sulfonylamino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC(CC(=O)OC)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC(CC(=O)OC)C2=CC=CC=C2)C

InChI

InChI=1S/C21H26N2O5S/c1-15-9-10-18(13-16(15)2)29(26,27)22-12-11-20(24)23-19(14-21(25)28-3)17-7-5-4-6-8-17/h4-10,13,19,22H,11-12,14H2,1-3H3,(H,23,24)