propan-2-yl 3-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[4-(methylsulfonylmethyl)benzoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(methylsulfonylmethyl)benzoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[4-(mesylmethyl)benzoyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-15(2)27-20(23)13-19(17-7-5-4-6-8-17)22-21(24)18-11-9-16(10-12-18)14-28(3,25)26/h4-12,15,19H,13-14H2,1-3H3,(H,22,24)