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

Systemtic Name: 2-(azepan-1-yl)-3-(2-methylpiperidin-1-yl)sulfonyl-naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-[(2-methyl-1-piperidyl)sulfonyl]naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-[(2-methyl-1-piperidinyl)sulfonyl]naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-(2-methylpiperidin-1-yl)sulfonylnaphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-(2-methylpiperidino)sulfonyl-1,4-naphthoquinone Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

InChI=1S/C22H28N2O4S/c1-16-10-6-9-15-24(16)29(27,28)22-19(23-13-7-2-3-8-14-23)20(25)17-11-4-5-12-18(17)21(22)26/h4-5,11-12,16H,2-3,6-10,13-15H2,1H3