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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

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