methyl (2R,4S)-4-[2,5-bis(oxidanylidene)-3-prop-2-enyl-imidazolidin-1-yl]-1-(4-butoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4S)-4-[2,5-bis(oxidanylidene)-3-prop-2-enyl-imidazolidin-1-yl]-1-(4-butoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-4-(3-allyl-2,5-dioxo-imidazolidin-1-yl)-1-(4-butoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-(2,5-dioxo-3-prop-2-enyl-1-imidazolidinyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-(2,5-dioxo-3-prop-2-enylimidazolidin-1-yl)pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-(3-allyl-2,5-diketo-imidazolidin-1-yl)-1-(4-butoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C22H29N3O7S MolecularWeight: 479.54656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)N3C(=O)CN(C3=O)CC=C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)OC)N3C(=O)CN(C3=O)CC=C

InChI

InChI=1S/C22H29N3O7S/c1-4-6-12-32-17-7-9-18(10-8-17)33(29,30)24-14-16(13-19(24)21(27)31-3)25-20(26)15-23(11-5-2)22(25)28/h5,7-10,16,19H,2,4,6,11-15H2,1,3H3/t16-,19+/m0/s1