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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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