propan-2-yl 3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonylamino]propanoate Openeye Name: isopropyl 3-[[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]amino]propanoate Traditional Name: 3-[(4-p-cumenylsulfonylpiperazine-1-carbonyl)amino]propionic acid isopropyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC(=O)OC(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC(=O)OC(C)C

InChI

InChI=1S/C20H31N3O5S/c1-15(2)17-5-7-18(8-6-17)29(26,27)23-13-11-22(12-14-23)20(25)21-10-9-19(24)28-16(3)4/h5-8,15-16H,9-14H2,1-4H3,(H,21,25)