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

Systemtic Name: methyl (2R,4S)-4-azanyl-1-(4-butoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-4-amino-1-(4-butoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-amino-1-(4-butoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-4-amino-1-(4-butoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-amino-1-(4-butoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O5S/c1-3-4-9-23-13-5-7-14(8-6-13)24(20,21)18-11-12(17)10-15(18)16(19)22-2/h5-8,12,15H,3-4,9-11,17H2,1-2H3/t12-,15+/m0/s1