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

Systemtic Name: 2-chloranyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[4-(p-tolylsulfonyl)piperazin-1-yl]naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]naphthalene-1,4-dione Traditional Name: 2-chloro-3-(4-tosylpiperazino)-1,4-naphthoquinone Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-14-6-8-15(9-7-14)29(27,28)24-12-10-23(11-13-24)19-18(22)20(25)16-4-2-3-5-17(16)21(19)26/h2-9H,10-13H2,1H3