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

Systemtic Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide Openeye Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-3-(2-nitro-4-sulfamoyl-anilino)propanamide CAS Name: N-[(1-methyl-2-imidazolyl)-phenylmethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide IUPAC Name: N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide Traditional Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C20H22N6O5S MolecularWeight: 458.49088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O5S/c1-25-12-11-23-20(25)19(14-5-3-2-4-6-14)24-18(27)9-10-22-16-8-7-15(32(21,30)31)13-17(16)26(28)29/h2-8,11-13,19,22H,9-10H2,1H3,(H,24,27)(H2,21,30,31)