2-azanyl-3-[2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-1,3-benzodioxol-5-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-1,3-benzodioxol-5-yl]propanoic acid Openeye Name: 2-amino-3-[2-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]-1,3-benzodioxol-5-yl]propanoic acid CAS Name: 2-amino-3-[2-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-1,3-benzodioxol-5-yl]propanoic acid IUPAC Name: 2-amino-3-[2-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]-1,3-benzodioxol-5-yl]propanoic acid Traditional Name: 2-amino-3-[2-(1-tosylprolyl)-1,3-benzodioxol-5-yl]propionic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)C3OC4=C(O3)C=C(C=C4)CC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)C3OC4=C(O3)C=C(C=C4)CC(C(=O)O)N

InChI

InChI=1S/C22H24N2O7S/c1-13-4-7-15(8-5-13)32(28,29)24-10-2-3-17(24)20(25)22-30-18-9-6-14(12-19(18)31-22)11-16(23)21(26)27/h4-9,12,16-17,22H,2-3,10-11,23H2,1H3,(H,26,27)