methyl 4-[phenethyl-(phenylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[phenethyl-(phenylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[benzyl(phenethyl)sulfamoyl]-1H-pyrrole-2-carboxylate CAS Name: 4-[phenethyl-(phenylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl(phenethyl)sulfamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[benzyl(phenethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CN1)S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-27-21(24)20-14-19(15-22-20)28(25,26)23(16-18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17/h2-11,14-15,22H,12-13,16H2,1H3