4-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-3-thiophen-2-ylsulfonylimino-naphthalen-1-olate

Systemtic Name: 4-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-3-thiophen-2-ylsulfonylimino-naphthalen-1-olate Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-oxo-3-(2-thienylsulfonylimino)naphthalen-1-olate CAS Name: 4-oxo-2-[4-(phenylmethyl)-1-piperazinyl]-3-thiophen-2-ylsulfonylimino-1-naphthalenolate IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate Traditional Name: 2-(4-benzylpiperazino)-4-keto-3-(2-thienylsulfonylimino)naphthalen-1-olate Formula: C25H22N3O4S2- MolecularWeight: 492.58988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=CS5)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=CS5)[O-]

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/h1-11,16,30H,12-15,17H2/p-1