N-methyl-3-nitro-4-(3-propan-2-yloxypropylamino)benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-(3-propan-2-yloxypropylamino)benzenesulfonamide Openeye Name: 4-(3-isopropoxypropylamino)-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-methyl-3-nitro-4-(3-propan-2-yloxypropylamino)benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-(3-propan-2-yloxypropylamino)benzenesulfonamide Traditional Name: 4-(3-isopropoxypropylamino)-N-methyl-3-nitro-benzenesulfonamide Formula: C13H21N3O5S MolecularWeight: 331.38794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C13H21N3O5S/c1-10(2)21-8-4-7-15-12-6-5-11(22(19,20)14-3)9-13(12)16(17)18/h5-6,9-10,14-15H,4,7-8H2,1-3H3