N-[1,4-bis(oxidanylidene)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]naphthalen-2-yl]benzenesulfonamide

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]naphthalen-2-yl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-1,4-dioxo-2-naphthyl]benzenesulfonamide CAS Name: N-[1,4-dioxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-naphthalenyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-1,4-diketo-2-naphthyl]benzenesulfonamide Formula: C27H26N3O4S+ MolecularWeight: 488.57804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c31-26-22-13-7-8-14-23(22)27(32)25(24(26)28-35(33,34)21-11-5-2-6-12-21)30-17-15-29(16-18-30)19-20-9-3-1-4-10-20/h1-14,28H,15-19H2/p+1