2-(azepan-1-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-naphthalene-1,4-dione

Systemtic Name: 2-(azepan-1-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-[(4-methyl-1-piperazinyl)sulfonyl]naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-(4-methylpiperazin-1-yl)sulfonylnaphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-(4-methylpiperazino)sulfonyl-1,4-naphthoquinone Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

InChI=1S/C21H27N3O4S/c1-22-12-14-24(15-13-22)29(27,28)21-18(23-10-6-2-3-7-11-23)19(25)16-8-4-5-9-17(16)20(21)26/h4-5,8-9H,2-3,6-7,10-15H2,1H3