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

Systemtic Name: ethyl 2,5-dimethyl-4-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[4-(phenylcarbamoyl)-1-piperidyl]sulfonyl]-1H-pyrrole-3-carboxylate CAS Name: 4-[[4-[anilino(oxo)methyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[4-(phenylcarbamoyl)piperidino]sulfonyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-4-29-21(26)18-14(2)22-15(3)19(18)30(27,28)24-12-10-16(11-13-24)20(25)23-17-8-6-5-7-9-17/h5-9,16,22H,4,10-13H2,1-3H3,(H,23,25)