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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C21H27N3O5S/c1-4-29-21(26)18-14(2)19(22-15(18)3)20(25)23-16-9-8-10-17(13-16)30(27,28)24-11-6-5-7-12-24/h8-10,13,22H,4-7,11-12H2,1-3H3,(H,23,25)