(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H26N2O5S/c1-17-5-11-20(12-6-17)30(27,28)23(2)15-21(25)29-16-18-7-9-19(10-8-18)22(26)24-13-3-4-14-24/h5-12H,3-4,13-16H2,1-2H3