(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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