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

Systemtic Name: ethyl 4-[3-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[(2-methoxyphenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[3-[[(2-methoxyphenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[3-(o-anisylcarbamoyl)piperidino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H33N3O6S MolecularWeight: 491.60032

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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=C3OC)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3OC)C)C)C

InChI

InChI=1S/C24H33N3O6S/c1-6-33-24(29)21-16(2)26(4)17(3)22(21)34(30,31)27-13-9-11-19(15-27)23(28)25-14-18-10-7-8-12-20(18)32-5/h7-8,10,12,19H,6,9,11,13-15H2,1-5H3,(H,25,28)