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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

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