2-chloranyl-3-[4-(phenylsulfonyl)piperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-(phenylsulfonyl)piperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-3-chloro-naphthalene-1,4-dione CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-3-chloronaphthalene-1,4-dione IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione Traditional Name: 2-(4-besylpiperazino)-3-chloro-1,4-naphthoquinone Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17ClN2O4S/c21-17-18(20(25)16-9-5-4-8-15(16)19(17)24)22-10-12-23(13-11-22)28(26,27)14-6-2-1-3-7-14/h1-9H,10-13H2