ethyl 4-[3-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[3-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[3-[[2-(1H-benzimidazol-2-yl)ethylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H31N5O5S MolecularWeight: 501.59844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=NC4=CC=CC=C4N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=NC4=CC=CC=C4N3)C)C

InChI

InChI=1S/C24H31N5O5S/c1-4-34-24(31)21-15(2)26-16(3)22(21)35(32,33)29-13-7-8-17(14-29)23(30)25-12-11-20-27-18-9-5-6-10-19(18)28-20/h5-6,9-10,17,26H,4,7-8,11-14H2,1-3H3,(H,25,30)(H,27,28)