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

Systemtic Name: ethyl 4-[3-[(2-chlorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[(2-chlorophenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[3-[[(2-chlorophenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-chlorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-[3-[(2-chlorobenzyl)carbamoyl]piperidino]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H30ClN3O5S MolecularWeight: 496.0194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3Cl)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3Cl)C)C)C

InChI

InChI=1S/C23H30ClN3O5S/c1-5-32-23(29)20-15(2)26(4)16(3)21(20)33(30,31)27-12-8-10-18(14-27)22(28)25-13-17-9-6-7-11-19(17)24/h6-7,9,11,18H,5,8,10,12-14H2,1-4H3,(H,25,28)