ethyl 1-(2-azanyl-5-chloranyl-phenyl)sulfonyl-4-(phenylazanylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 1-(2-azanyl-5-chloranyl-phenyl)sulfonyl-4-(phenylazanylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-(2-amino-5-chloro-phenyl)sulfonyl-4-(anilinomethyl)pyrrole-2-carboxylate CAS Name: 1-(2-amino-5-chlorophenyl)sulfonyl-4-(anilinomethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-amino-5-chlorophenyl)sulfonyl-4-(anilinomethyl)pyrrole-2-carboxylate Traditional Name: 1-(2-amino-5-chloro-phenyl)sulfonyl-4-(anilinomethyl)pyrrole-2-carboxylic acid ethyl ester Formula: C20H20ClN3O4S MolecularWeight: 433.9085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N)CNC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N)CNC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O4S/c1-2-28-20(25)18-10-14(12-23-16-6-4-3-5-7-16)13-24(18)29(26,27)19-11-15(21)8-9-17(19)22/h3-11,13,23H,2,12,22H2,1H3