2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 3-phenyl-2-[[1-(p-tolylsulfonyl)pyrrolidin-2-yl]methylamino]propanoic acid CAS Name: 2-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-[(1-tosylpyrrolidin-2-yl)methylamino]propionic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H26N2O4S/c1-16-9-11-19(12-10-16)28(26,27)23-13-5-8-18(23)15-22-20(21(24)25)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,18,20,22H,5,8,13-15H2,1H3,(H,24,25)