2-(azepan-1-yl)-3-[[4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidin-3-yl]sulfonyl]naphthalene-1,4-dione

Systemtic Name: 2-(azepan-1-yl)-3-[[4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidin-3-yl]sulfonyl]naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-(4-ethyl-2-isopentyl-2-methyl-oxazolidin-3-yl)sulfonyl-naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-[[4-ethyl-2-methyl-2-(3-methylbutyl)-3-oxazolidinyl]sulfonyl]naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-[[4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidin-3-yl]sulfonyl]naphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-(4-ethyl-2-isoamyl-2-methyl-oxazolidin-3-yl)sulfonyl-1,4-naphthoquinone Formula: C27H38N2O5S MolecularWeight: 502.66602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC(N1S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4)(C)CCC(C)C

Isomeric SMILES

CCC1COC(N1S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4)(C)CCC(C)C

InChI

InChI=1S/C27H38N2O5S/c1-5-20-18-34-27(4,15-14-19(2)3)29(20)35(32,33)26-23(28-16-10-6-7-11-17-28)24(30)21-12-8-9-13-22(21)25(26)31/h8-9,12-13,19-20H,5-7,10-11,14-18H2,1-4H3