ethyl 3,3-diethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methylamino]propanoate

Systemtic Name: ethyl 3,3-diethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methylamino]propanoate Openeye Name: ethyl 3,3-diethoxy-2-[[1-(p-tolylsulfonyl)pyrrol-2-yl]methylamino]propanoate CAS Name: 3,3-diethoxy-2-[[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]methylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3,3-diethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methylamino]propanoate Traditional Name: 3,3-diethoxy-2-[(1-tosylpyrrol-2-yl)methylamino]propionic acid ethyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C(=O)OCC)NCC1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCOC(C(C(=O)OCC)NCC1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C21H30N2O6S/c1-5-27-20(24)19(21(28-6-2)29-7-3)22-15-17-9-8-14-23(17)30(25,26)18-12-10-16(4)11-13-18/h8-14,19,21-22H,5-7,15H2,1-4H3