2-[1-methyl-4-(phenylmethyl)-3-sulfamoyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 2-[1-methyl-4-(phenylmethyl)-3-sulfamoyl-pyrrol-2-yl]propanoic acid Openeye Name: 2-(4-benzyl-1-methyl-3-sulfamoyl-pyrrol-2-yl)propanoic acid CAS Name: 2-[1-methyl-4-(phenylmethyl)-3-sulfamoyl-2-pyrrolyl]propanoic acid IUPAC Name: 2-(4-benzyl-1-methyl-3-sulfamoylpyrrol-2-yl)propanoic acid Traditional Name: 2-(4-benzyl-1-methyl-3-sulfamoyl-pyrrol-2-yl)propionic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=CN1C)CC2=CC=CC=C2)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CC(C1=C(C(=CN1C)CC2=CC=CC=C2)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C15H18N2O4S/c1-10(15(18)19)13-14(22(16,20)21)12(9-17(13)2)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,18,19)(H2,16,20,21)