4-methyl-2-[(4-nitrophenyl)sulfonyl-phenacyl-amino]pentanoic acid

Systemtic Name: 4-methyl-2-[(4-nitrophenyl)sulfonyl-phenacyl-amino]pentanoic acid Openeye Name: 4-methyl-2-[(4-nitrophenyl)sulfonyl-phenacyl-amino]pentanoic acid CAS Name: 4-methyl-2-[(4-nitrophenyl)sulfonyl-phenacylamino]pentanoic acid IUPAC Name: 4-methyl-2-[(4-nitrophenyl)sulfonyl-phenacylamino]pentanoic acid Traditional Name: 4-methyl-2-[nosyl(phenacyl)amino]valeric acid Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CC(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)O)N(CC(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7S/c1-14(2)12-18(20(24)25)21(13-19(23)15-6-4-3-5-7-15)30(28,29)17-10-8-16(9-11-17)22(26)27/h3-11,14,18H,12-13H2,1-2H3,(H,24,25)