2-chloranyl-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-3-chloro-naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-3-chloronaphthalene-1,4-dione Traditional Name: 2-(4-benzylsulfonylpiperazino)-3-chloro-1,4-naphthoquinone Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN2O4S/c22-18-19(21(26)17-9-5-4-8-16(17)20(18)25)23-10-12-24(13-11-23)29(27,28)14-15-6-2-1-3-7-15/h1-9H,10-14H2