2-[2-azanyl-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[2-amino-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-1-yl]acetic acid CAS Name: 2-[2-amino-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-pyrrolyl]acetic acid IUPAC Name: 2-[2-amino-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-1-yl]acetic acid Traditional Name: 2-(2-amino-4,5-dimethyl-3-tosyl-pyrrol-1-yl)acetic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC(=O)O)N

InChI

InChI=1S/C15H18N2O4S/c1-9-4-6-12(7-5-9)22(20,21)14-10(2)11(3)17(15(14)16)8-13(18)19/h4-7H,8,16H2,1-3H3,(H,18,19)