ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[4-[(4-fluorophenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[4-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-[4-[(4-fluorobenzyl)carbamoyl]piperidino]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H30FN3O5S MolecularWeight: 479.564803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)C)C)C

InChI

InChI=1S/C23H30FN3O5S/c1-5-32-23(29)20-15(2)26(4)16(3)21(20)33(30,31)27-12-10-18(11-13-27)22(28)25-14-17-6-8-19(24)9-7-17/h6-9,18H,5,10-14H2,1-4H3,(H,25,28)