3-[(2-nitro-4-sulfamoyl-phenyl)amino]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-[(2-nitro-4-sulfamoyl-phenyl)amino]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(2-nitro-4-sulfamoyl-anilino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(2-nitro-4-sulfamoylanilino)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(2-nitro-4-sulfamoylanilino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(2-nitro-4-sulfamoyl-anilino)-N-[2-(pyrazol-1-ylmethyl)benzyl]propionamide Formula: C20H22N6O5S MolecularWeight: 458.49088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CN3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CN3C=CC=N3

InChI

InChI=1S/C20H22N6O5S/c21-32(30,31)17-6-7-18(19(12-17)26(28)29)22-10-8-20(27)23-13-15-4-1-2-5-16(15)14-25-11-3-9-24-25/h1-7,9,11-12,22H,8,10,13-14H2,(H,23,27)(H2,21,30,31)