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

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-[4-(phenylmethyl)piperazin-1-yl]naphthalen-2-yl]thiophene-2-sulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)-1,4-dioxo-2-naphthyl]thiophene-2-sulfonamide CAS Name: N-[1,4-dioxo-3-[4-(phenylmethyl)-1-piperazinyl]-2-naphthalenyl]-2-thiophenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]thiophene-2-sulfonamide Traditional Name: N-[3-(4-benzylpiperazino)-1,4-diketo-2-naphthyl]thiophene-2-sulfonamide Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H23N3O4S2/c29-24-19-9-4-5-10-20(19)25(30)23(22(24)26-34(31,32)21-11-6-16-33-21)28-14-12-27(13-15-28)17-18-7-2-1-3-8-18/h1-11,16,26H,12-15,17H2