2-(azepan-1-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-naphthalene-1,4-dione

Systemtic Name: 2-(azepan-1-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-[(3,5-dimethyl-1-piperidyl)sulfonyl]naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylnaphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-(3,5-dimethylpiperidino)sulfonyl-1,4-naphthoquinone Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4)C

InChI

InChI=1S/C23H30N2O4S/c1-16-13-17(2)15-25(14-16)30(28,29)23-20(24-11-7-3-4-8-12-24)21(26)18-9-5-6-10-19(18)22(23)27/h5-6,9-10,16-17H,3-4,7-8,11-15H2,1-2H3