methyl 2,4-dimethyl-5-[(2-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(2-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[[2-(1-piperidylsulfonyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[2-(1-piperidinylsulfonyl)phenyl]methylamino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2-piperidinosulfonylbenzyl)carbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O5S/c1-14-18(21(26)29-3)15(2)23-19(14)20(25)22-13-16-9-5-6-10-17(16)30(27,28)24-11-7-4-8-12-24/h5-6,9-10,23H,4,7-8,11-13H2,1-3H3,(H,22,25)