5-(2-azanylbut-3-enyl)-2-phenoxy-3-[(phenylmethyl)amino]benzenesulfonamide

Systemtic Name: 5-(2-azanylbut-3-enyl)-2-phenoxy-3-[(phenylmethyl)amino]benzenesulfonamide Openeye Name: 5-(2-aminobut-3-enyl)-3-(benzylamino)-2-phenoxy-benzenesulfonamide CAS Name: 5-(2-aminobut-3-enyl)-2-phenoxy-3-[(phenylmethyl)amino]benzenesulfonamide IUPAC Name: 5-(2-aminobut-3-enyl)-3-(benzylamino)-2-phenoxybenzenesulfonamide Traditional Name: 5-(2-aminobut-3-enyl)-3-(benzylamino)-2-phenoxy-benzenesulfonamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=CC=C2)NCC3=CC=CC=C3)N

Isomeric SMILES

C=CC(CC1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=CC=C2)NCC3=CC=CC=C3)N

InChI

InChI=1S/C23H25N3O3S/c1-2-19(24)13-18-14-21(26-16-17-9-5-3-6-10-17)23(22(15-18)30(25,27)28)29-20-11-7-4-8-12-20/h2-12,14-15,19,26H,1,13,16,24H2,(H2,25,27,28)