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

Systemtic Name: 3-nitro-N-phenyl-4-(3-propan-2-yloxypropylamino)benzenesulfonamide Openeye Name: 4-(3-isopropoxypropylamino)-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 3-nitro-N-phenyl-4-(3-propan-2-yloxypropylamino)benzenesulfonamide IUPAC Name: 3-nitro-N-phenyl-4-(3-propan-2-yloxypropylamino)benzenesulfonamide Traditional Name: 4-(3-isopropoxypropylamino)-3-nitro-N-phenyl-benzenesulfonamide Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S/c1-14(2)26-12-6-11-19-17-10-9-16(13-18(17)21(22)23)27(24,25)20-15-7-4-3-5-8-15/h3-5,7-10,13-14,19-20H,6,11-12H2,1-2H3