methyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 3-(4-nitrophenyl)-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: 3-(4-nitrophenyl)-2-[(1-tosylprolyl)amino]propionic acid methyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H25N3O7S/c1-15-5-11-18(12-6-15)33(30,31)24-13-3-4-20(24)21(26)23-19(22(27)32-2)14-16-7-9-17(10-8-16)25(28)29/h5-12,19-20H,3-4,13-14H2,1-2H3,(H,23,26)