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

Systemtic Name: propan-2-yl 3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonylamino]propanoate Openeye Name: isopropyl 3-[[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]amino]propanoate CAS Name: 3-[[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]amino]propanoate Traditional Name: 3-[[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]amino]propionic acid isopropyl ester Formula: C17H24N4O7S MolecularWeight: 428.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O7S/c1-13(2)28-16(22)6-7-18-17(23)19-8-10-20(11-9-19)29(26,27)15-5-3-4-14(12-15)21(24)25/h3-5,12-13H,6-11H2,1-2H3,(H,18,23)