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

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-[4-(phenylmethyl)piperazin-1-yl]naphthalen-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)-1,4-dioxo-2-naphthyl]-4-methyl-benzenesulfonamide CAS Name: N-[1,4-dioxo-3-[4-(phenylmethyl)-1-piperazinyl]-2-naphthalenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazino)-1,4-diketo-2-naphthyl]-4-methyl-benzenesulfonamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4S/c1-20-11-13-22(14-12-20)36(34,35)29-25-26(28(33)24-10-6-5-9-23(24)27(25)32)31-17-15-30(16-18-31)19-21-7-3-2-4-8-21/h2-14,29H,15-19H2,1H3