4-tert-butyl-N-[5-(cyclopropylsulfamoyl)-2-methoxy-phenyl]-3-nitro-benzamide

Systemtic Name: 4-tert-butyl-N-[5-(cyclopropylsulfamoyl)-2-methoxy-phenyl]-3-nitro-benzamide Openeye Name: 4-tert-butyl-N-[5-(cyclopropylsulfamoyl)-2-methoxy-phenyl]-3-nitro-benzamide CAS Name: 4-tert-butyl-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide IUPAC Name: 4-tert-butyl-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide Traditional Name: 4-tert-butyl-N-[5-(cyclopropylsulfamoyl)-2-methoxy-phenyl]-3-nitro-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3CC3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3CC3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-21(2,3)16-9-5-13(11-18(16)24(26)27)20(25)22-17-12-15(8-10-19(17)30-4)31(28,29)23-14-6-7-14/h5,8-12,14,23H,6-7H2,1-4H3,(H,22,25)