N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzotriazole-5-carboxamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4)N=N1

InChI

InChI=1S/C19H20N6O3S/c1-2-25-17-9-8-13(11-16(17)22-24-25)19(26)21-14-5-3-6-15(12-14)29(27,28)23-18-7-4-10-20-18/h3,5-6,8-9,11-12H,2,4,7,10H2,1H3,(H,20,23)(H,21,26)