3-azanyl-5-[[2,6-bis(chloranyl)-3-nitro-phenyl]methyl]-4-methyl-2-propyl-benzenesulfonamide

Systemtic Name: 3-azanyl-5-[[2,6-bis(chloranyl)-3-nitro-phenyl]methyl]-4-methyl-2-propyl-benzenesulfonamide Openeye Name: 3-amino-5-[(2,6-dichloro-3-nitro-phenyl)methyl]-4-methyl-2-propyl-benzenesulfonamide CAS Name: 3-amino-5-[(2,6-dichloro-3-nitrophenyl)methyl]-4-methyl-2-propylbenzenesulfonamide IUPAC Name: 3-amino-5-[(2,6-dichloro-3-nitrophenyl)methyl]-4-methyl-2-propylbenzenesulfonamide Traditional Name: 3-amino-5-(2,6-dichloro-3-nitro-benzyl)-4-methyl-2-propyl-benzenesulfonamide Formula: C17H19Cl2N3O4S MolecularWeight: 432.32146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1N)C)CC2=C(C=CC(=C2Cl)[N+](=O)[O-])Cl)S(=O)(=O)N

Isomeric SMILES

CCCC1=C(C=C(C(=C1N)C)CC2=C(C=CC(=C2Cl)[N+](=O)[O-])Cl)S(=O)(=O)N

InChI

InChI=1S/C17H19Cl2N3O4S/c1-3-4-11-15(27(21,25)26)8-10(9(2)17(11)20)7-12-13(18)5-6-14(16(12)19)22(23)24/h5-6,8H,3-4,7,20H2,1-2H3,(H2,21,25,26)