3-nitro-4-(2-phenylbutylamino)benzenesulfonamide

Systemtic Name: 3-nitro-4-(2-phenylbutylamino)benzenesulfonamide Openeye Name: 3-nitro-4-(2-phenylbutylamino)benzenesulfonamide CAS Name: 3-nitro-4-(2-phenylbutylamino)benzenesulfonamide IUPAC Name: 3-nitro-4-(2-phenylbutylamino)benzenesulfonamide Traditional Name: 3-nitro-4-(2-phenylbutylamino)benzenesulfonamide Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCC(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O4S/c1-2-12(13-6-4-3-5-7-13)11-18-15-9-8-14(24(17,22)23)10-16(15)19(20)21/h3-10,12,18H,2,11H2,1H3,(H2,17,22,23)