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

Systemtic Name: [5-(4-chlorophenyl)-1H-pyrrol-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [5-(4-chlorophenyl)-1H-pyrrol-3-yl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [5-(4-chlorophenyl)-1H-pyrrol-3-yl] ester IUPAC Name: [5-(4-chlorophenyl)-1H-pyrrol-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [5-(4-chlorophenyl)-1H-pyrrol-3-yl] ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S/c1-13-3-9-18(10-4-13)28(25,26)23-14(2)20(24)27-17-11-19(22-12-17)15-5-7-16(21)8-6-15/h3-12,14,22-23H,1-2H3/t14-/m0/s1