4-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O4S/c1-13(2)11-19(21-23-16-7-5-6-8-17(16)24-21)22-18-10-9-15(12-20(18)26(27)28)31(29,30)25-14(3)4/h5-10,12-14,19,22,25H,11H2,1-4H3,(H,23,24)/t19-/m1/s1