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

Systemtic Name: ethyl 4-[4-[(3-cyanophenyl)carbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[4-[(3-cyanophenyl)carbamoyl]-1-piperidyl]sulfonyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[4-[(3-cyanoanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-cyanophenyl)carbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-[4-[(3-cyanophenyl)carbamoyl]piperidino]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C#N)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C#N)C)C)C

InChI

InChI=1S/C23H28N4O5S/c1-5-32-23(29)20-15(2)26(4)16(3)21(20)33(30,31)27-11-9-18(10-12-27)22(28)25-19-8-6-7-17(13-19)14-24/h6-8,13,18H,5,9-12H2,1-4H3,(H,25,28)