4-[[[5-(cyclopropylsulfamoyl)-2-methoxy-phenyl]amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[[5-(cyclopropylsulfamoyl)-2-methoxy-phenyl]amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[5-(cyclopropylsulfamoyl)-2-methoxy-anilino]methyl]-3-nitro-benzamide CAS Name: 4-[[5-(cyclopropylsulfamoyl)-2-methoxyanilino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(cyclopropylsulfamoyl)-2-methoxyanilino]methyl]-3-nitrobenzamide Traditional Name: 4-[[5-(cyclopropylsulfamoyl)-2-methoxy-anilino]methyl]-3-nitro-benzamide Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)NCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)NCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c1-28-17-7-6-14(29(26,27)21-13-4-5-13)9-15(17)20-10-12-3-2-11(18(19)23)8-16(12)22(24)25/h2-3,6-9,13,20-21H,4-5,10H2,1H3,(H2,19,23)