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

Systemtic Name: methyl 2-methyl-4-[2-[2-(methylsulfamoyl)phenyl]ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate Openeye Name: methyl 2-methyl-4-[2-[2-(methylsulfamoyl)phenyl]acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate CAS Name: 2-methyl-4-[2-[2-(methylsulfamoyl)phenyl]-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-[2-[2-(methylsulfamoyl)phenyl]acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate Traditional Name: 2-methyl-4-[2-[2-(methylsulfamoyl)phenyl]acetyl]-3-(pyrrolidinomethyl)piperazine-1-carboxylic acid methyl ester Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)OC)C(=O)CC2=CC=CC=C2S(=O)(=O)NC)CN3CCCC3

Isomeric SMILES

CC1C(N(CCN1C(=O)OC)C(=O)CC2=CC=CC=C2S(=O)(=O)NC)CN3CCCC3

InChI

InChI=1S/C21H32N4O5S/c1-16-18(15-23-10-6-7-11-23)25(13-12-24(16)21(27)30-3)20(26)14-17-8-4-5-9-19(17)31(28,29)22-2/h4-5,8-9,16,18,22H,6-7,10-15H2,1-3H3