3-nitro-4-(4-phenoxybutylamino)benzenesulfonamide

Systemtic Name: 3-nitro-4-(4-phenoxybutylamino)benzenesulfonamide Openeye Name: 3-nitro-4-(4-phenoxybutylamino)benzenesulfonamide CAS Name: 3-nitro-4-(4-phenoxybutylamino)benzenesulfonamide IUPAC Name: 3-nitro-4-(4-phenoxybutylamino)benzenesulfonamide Traditional Name: 3-nitro-4-(4-phenoxybutylamino)benzenesulfonamide Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5S/c17-25(22,23)14-8-9-15(16(12-14)19(20)21)18-10-4-5-11-24-13-6-2-1-3-7-13/h1-3,6-9,12,18H,4-5,10-11H2,(H2,17,22,23)