N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [1-(1H-benzimidazol-2-yl)-2-methyl-propyl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NC2=CC=CC=C2N1)NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C1=NC2=CC=CC=C2N1)NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5S/c1-14(2)20(21-23-16-5-3-4-6-17(16)24-21)22-18-8-7-15(13-19(18)26(27)28)32(29,30)25-9-11-31-12-10-25/h3-8,13-14,20,22H,9-12H2,1-2H3,(H,23,24)