N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methyl-4-nitrobenzamide Traditional Name: 3-methyl-4-nitro-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-12-10-13(7-8-16(12)22(24)25)18(23)20-14-4-2-5-15(11-14)28(26,27)21-17-6-3-9-19-17/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,19,21)(H,20,23)