3-nitro-N-(phenylmethyl)-4-[2-(3-phenylpropanethioyl)hydrazinyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-(phenylmethyl)-4-[2-(3-phenylpropanethioyl)hydrazinyl]benzenesulfonamide Openeye Name: N-benzyl-3-nitro-4-[2-(3-phenylpropanethioyl)hydrazino]benzenesulfonamide CAS Name: 3-nitro-N-(phenylmethyl)-4-[(3-phenyl-1-sulfanylidenepropyl)hydrazo]benzenesulfonamide IUPAC Name: N-benzyl-3-nitro-4-[2-(3-phenylpropanethioyl)hydrazinyl]benzenesulfonamide Traditional Name: N-benzyl-3-nitro-4-[N'-(3-phenylpropanethioyl)hydrazino]benzenesulfonamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S2/c27-26(28)21-15-19(32(29,30)23-16-18-9-5-2-6-10-18)12-13-20(21)24-25-22(31)14-11-17-7-3-1-4-8-17/h1-10,12-13,15,23-24H,11,14,16H2,(H,25,31)