ethyl 3,5-dimethyl-4-[[methylsulfonyl(phenethyl)amino]methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[[methylsulfonyl(phenethyl)amino]methyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[[methylsulfonyl(phenethyl)amino]methyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[[methylsulfonyl(phenethyl)amino]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[[methylsulfonyl(phenethyl)amino]methyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[[mesyl(phenethyl)amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CN(CCC2=CC=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CN(CCC2=CC=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C19H26N2O4S/c1-5-25-19(22)18-14(2)17(15(3)20-18)13-21(26(4,23)24)12-11-16-9-7-6-8-10-16/h6-10,20H,5,11-13H2,1-4H3