3-[[4-(3-methylbutylamino)-3-nitro-phenyl]sulfonylamino]propanoate

Systemtic Name: 3-[[4-(3-methylbutylamino)-3-nitro-phenyl]sulfonylamino]propanoate Openeye Name: 3-[[4-(isopentylamino)-3-nitro-phenyl]sulfonylamino]propanoate CAS Name: 3-[[4-(3-methylbutylamino)-3-nitrophenyl]sulfonylamino]propanoate IUPAC Name: 3-[[4-(3-methylbutylamino)-3-nitrophenyl]sulfonylamino]propanoate Traditional Name: 3-[[4-(isoamylamino)-3-nitro-phenyl]sulfonylamino]propionate Formula: C14H20N3O6S- MolecularWeight: 358.3901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O6S/c1-10(2)5-7-15-12-4-3-11(9-13(12)17(20)21)24(22,23)16-8-6-14(18)19/h3-4,9-10,15-16H,5-8H2,1-2H3,(H,18,19)/p-1