ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-(3-piperidinosulfonylanilino)ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-4-30-22(27)20-13-16(2)25(17(20)3)15-21(26)23-18-9-8-10-19(14-18)31(28,29)24-11-6-5-7-12-24/h8-10,13-14H,4-7,11-12,15H2,1-3H3,(H,23,26)