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

Systemtic Name: propan-2-yl 3-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylamino]propanoate Openeye Name: isopropyl 3-[[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]amino]propanoate CAS Name: 3-[[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]amino]propanoate Traditional Name: 3-[[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]amino]propionic acid isopropyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC(=O)OC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC(=O)OC(C)C)C

InChI

InChI=1S/C19H29N3O5S/c1-14(2)27-18(23)7-8-20-19(24)21-9-11-22(12-10-21)28(25,26)17-6-5-15(3)16(4)13-17/h5-6,13-14H,7-12H2,1-4H3,(H,20,24)