methyl 1,3,5-trimethyl-4-[2-[(4-methylphenyl)sulfonyl-propyl-amino]propanoyl]pyrrole-2-carboxylate

Systemtic Name: methyl 1,3,5-trimethyl-4-[2-[(4-methylphenyl)sulfonyl-propyl-amino]propanoyl]pyrrole-2-carboxylate Openeye Name: methyl 1,3,5-trimethyl-4-[2-[propyl(p-tolylsulfonyl)amino]propanoyl]pyrrole-2-carboxylate CAS Name: 1,3,5-trimethyl-4-[2-[(4-methylphenyl)sulfonyl-propylamino]-1-oxopropyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1,3,5-trimethyl-4-[2-[(4-methylphenyl)sulfonyl-propylamino]propanoyl]pyrrole-2-carboxylate Traditional Name: 1,3,5-trimethyl-4-[2-[propyl(tosyl)amino]propanoyl]pyrrole-2-carboxylic acid methyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(C)C(=O)C1=C(N(C(=C1C)C(=O)OC)C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCN(C(C)C(=O)C1=C(N(C(=C1C)C(=O)OC)C)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H30N2O5S/c1-8-13-24(30(27,28)18-11-9-14(2)10-12-18)17(5)21(25)19-15(3)20(22(26)29-7)23(6)16(19)4/h9-12,17H,8,13H2,1-7H3