ethyl 3,5-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[[4-(1-piperidyl)-1-piperidyl]sulfonyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[[4-(1-piperidinyl)-1-piperidinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-(4-piperidinopiperidino)sulfonyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H31N3O4S MolecularWeight: 397.53214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)S(=O)(=O)N2CCC(CC2)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)S(=O)(=O)N2CCC(CC2)N3CCCCC3)C

InChI

InChI=1S/C19H31N3O4S/c1-4-26-19(23)17-14(2)18(15(3)20-17)27(24,25)22-12-8-16(9-13-22)21-10-6-5-7-11-21/h16,20H,4-13H2,1-3H3