methyl (2S)-2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethylsulfonyl)amino]propanoate

Systemtic Name: methyl (2S)-2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethylsulfonyl)amino]propanoate Openeye Name: methyl (2S)-2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethylsulfonyl)amino]propanoate CAS Name: (2S)-2-[(3,4-dichlorophenyl)methyl-[2-(1-pyrrolidinyl)ethylsulfonyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethylsulfonyl)amino]propanoate Traditional Name: (2S)-2-[(3,4-dichlorobenzyl)-(2-pyrrolidinoethylsulfonyl)amino]propionic acid methyl ester Formula: C17H24Cl2N2O4S MolecularWeight: 423.35446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(CC1=CC(=C(C=C1)Cl)Cl)S(=O)(=O)CCN2CCCC2

Isomeric SMILES

C[C@@H](C(=O)OC)N(CC1=CC(=C(C=C1)Cl)Cl)S(=O)(=O)CCN2CCCC2

InChI

InChI=1S/C17H24Cl2N2O4S/c1-13(17(22)25-2)21(12-14-5-6-15(18)16(19)11-14)26(23,24)10-9-20-7-3-4-8-20/h5-6,11,13H,3-4,7-10,12H2,1-2H3/t13-/m0/s1