4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C20H25N5O4S2 MolecularWeight: 463.5736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC(CCSC)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4S2/c1-13(2)24-31(28,29)14-8-9-17(19(12-14)25(26)27)21-18(10-11-30-3)20-22-15-6-4-5-7-16(15)23-20/h4-9,12-13,18,21,24H,10-11H2,1-3H3,(H,22,23)/t18-/m0/s1