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

Systemtic Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-(2-methoxyethanoylamino)pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[(2-methoxy-1-oxoethyl)amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxylic acid methyl ester Formula: C19H28N2O7S MolecularWeight: 428.49982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)NC(=O)COC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)OC)NC(=O)COC

InChI

InChI=1S/C19H28N2O7S/c1-4-5-10-28-15-6-8-16(9-7-15)29(24,25)21-12-14(20-18(22)13-26-2)11-17(21)19(23)27-3/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,20,22)/t14-,17+/m0/s1