methyl 3-methyl-2-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoate

Systemtic Name: methyl 3-methyl-2-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoate Openeye Name: methyl 2-[benzyl-(2-nitrophenyl)sulfonyl-amino]-3-methyl-butanoate CAS Name: 3-methyl-2-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 2-[benzyl-(2-nitrophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[benzyl-(2-nitrophenyl)sulfonyl-amino]-3-methyl-butyric acid methyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-14(2)18(19(22)27-3)20(13-15-9-5-4-6-10-15)28(25,26)17-12-8-7-11-16(17)21(23)24/h4-12,14,18H,13H2,1-3H3