methyl (2R,4E)-1-(4-butoxyphenyl)sulfonyl-4-piperazin-1-ylimino-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4E)-1-(4-butoxyphenyl)sulfonyl-4-piperazin-1-ylimino-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4E)-1-(4-butoxyphenyl)sulfonyl-4-piperazin-1-ylimino-pyrrolidine-2-carboxylate CAS Name: (2R,4E)-1-(4-butoxyphenyl)sulfonyl-4-(1-piperazinylimino)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4E)-1-(4-butoxyphenyl)sulfonyl-4-piperazin-1-yliminopyrrolidine-2-carboxylate Traditional Name: (2R,4E)-1-(4-butoxyphenyl)sulfonyl-4-piperazinoimino-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(=NN3CCNCC3)CC2C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C/C(=N/N3CCNCC3)/C[C@@H]2C(=O)OC

InChI

InChI=1S/C20H30N4O5S/c1-3-4-13-29-17-5-7-18(8-6-17)30(26,27)24-15-16(14-19(24)20(25)28-2)22-23-11-9-21-10-12-23/h5-8,19,21H,3-4,9-15H2,1-2H3/b22-16+/t19-/m1/s1