2-(4-ethylpiperazin-1-yl)sulfonyl-3-(4-methylpiperidin-1-yl)naphthalene-1,4-dione

Systemtic Name: 2-(4-ethylpiperazin-1-yl)sulfonyl-3-(4-methylpiperidin-1-yl)naphthalene-1,4-dione Openeye Name: 2-(4-ethylpiperazin-1-yl)sulfonyl-3-(4-methyl-1-piperidyl)naphthalene-1,4-dione CAS Name: 2-[(4-ethyl-1-piperazinyl)sulfonyl]-3-(4-methyl-1-piperidinyl)naphthalene-1,4-dione IUPAC Name: 2-(4-ethylpiperazin-1-yl)sulfonyl-3-(4-methylpiperidin-1-yl)naphthalene-1,4-dione Traditional Name: 2-(4-ethylpiperazino)sulfonyl-3-(4-methylpiperidino)-1,4-naphthoquinone Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCC(CC4)C

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCC(CC4)C

InChI

InChI=1S/C22H29N3O4S/c1-3-23-12-14-25(15-13-23)30(28,29)22-19(24-10-8-16(2)9-11-24)20(26)17-6-4-5-7-18(17)21(22)27/h4-7,16H,3,8-15H2,1-2H3