2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-nitrophenyl)propanoic acid Openeye Name: 3-(4-nitrophenyl)-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-nitrophenyl)propanoic acid Traditional Name: 3-(4-nitrophenyl)-2-[(1-tosylprolyl)amino]propionic acid Formula: C21H23N3O7S MolecularWeight: 461.48822

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7S/c1-14-4-10-17(11-5-14)32(30,31)23-12-2-3-19(23)20(25)22-18(21(26)27)13-15-6-8-16(9-7-15)24(28)29/h4-11,18-19H,2-3,12-13H2,1H3,(H,22,25)(H,26,27)