methyl 4-[2-[2-(methylsulfonylamino)phenyl]ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-[2-(methylsulfonylamino)phenyl]ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate Openeye Name: methyl 4-[2-[2-(methanesulfonamido)phenyl]acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate CAS Name: 4-[2-[2-(methanesulfonamido)phenyl]-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[2-(methanesulfonamido)phenyl]acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-[2-[2-(methanesulfonamido)phenyl]acetyl]-3-(pyrrolidinomethyl)piperazine-1-carboxylic acid methyl ester Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=CC=C3NS(=O)(=O)C

Isomeric SMILES

COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC=CC=C3NS(=O)(=O)C

InChI

InChI=1S/C20H30N4O5S/c1-29-20(26)23-11-12-24(17(15-23)14-22-9-5-6-10-22)19(25)13-16-7-3-4-8-18(16)21-30(2,27)28/h3-4,7-8,17,21H,5-6,9-15H2,1-2H3