methyl (2R,4S)-4-(2-methoxyethanoylamino)-1-(4-propoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4S)-4-(2-methoxyethanoylamino)-1-(4-propoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-4-[(2-methoxyacetyl)amino]-1-(4-propoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-[(2-methoxy-1-oxoethyl)amino]-1-(4-propoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-4-[(2-methoxyacetyl)amino]-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-[(2-methoxyacetyl)amino]-1-(4-propoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)NC(=O)COC

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)OC)NC(=O)COC

InChI

InChI=1S/C18H26N2O7S/c1-4-9-27-14-5-7-15(8-6-14)28(23,24)20-11-13(19-17(21)12-25-2)10-16(20)18(22)26-3/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,21)/t13-,16+/m0/s1