(2S)-2-[(3-chloranyl-4-nitro-phenyl)sulfonyl-(phenylmethyl)amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(3-chloranyl-4-nitro-phenyl)sulfonyl-(phenylmethyl)amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[benzyl-(3-chloro-4-nitro-phenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(3-chloro-4-nitrophenyl)sulfonyl-(phenylmethyl)amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[benzyl-(3-chloro-4-nitrophenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[benzyl-(3-chloro-4-nitro-phenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C18H19ClN2O6S MolecularWeight: 426.87126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN2O6S/c1-12(2)17(18(22)23)20(11-13-6-4-3-5-7-13)28(26,27)14-8-9-16(21(24)25)15(19)10-14/h3-10,12,17H,11H2,1-2H3,(H,22,23)/t17-/m0/s1