(1-methyl-5-phenyl-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (1-methyl-5-phenyl-pyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (1-methyl-5-phenyl-pyrrol-3-yl) (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (1-methyl-5-phenyl-3-pyrrolyl) ester IUPAC Name: (1-methyl-5-phenylpyrrol-3-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid (1-methyl-5-phenyl-pyrrol-3-yl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=CN(C(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OC2=CN(C(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O4S/c1-15-9-11-19(12-10-15)28(25,26)22-16(2)21(24)27-18-13-20(23(3)14-18)17-7-5-4-6-8-17/h4-14,16,22H,1-3H3/t16-/m0/s1