2-[1-(3-azanyl-4-methoxy-phenyl)sulfonylethyl]-3-(4-hexadecoxyphenyl)-5-methyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[1-(3-azanyl-4-methoxy-phenyl)sulfonylethyl]-3-(4-hexadecoxyphenyl)-5-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[1-(3-amino-4-methoxy-phenyl)sulfonylethyl]-3-(4-hexadecoxyphenyl)-5-methyl-1,4-benzoquinone CAS Name: 2-[1-(3-amino-4-methoxyphenyl)sulfonylethyl]-3-(4-hexadecoxyphenyl)-5-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[1-(3-amino-4-methoxyphenyl)sulfonylethyl]-3-(4-hexadecoxyphenyl)-5-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[1-(3-amino-4-methoxy-phenyl)sulfonylethyl]-3-(4-cetyloxyphenyl)-5-methyl-p-benzoquinone Formula: C38H53NO6S MolecularWeight: 651.89552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=O)C=C(C2=O)C)C(C)S(=O)(=O)C3=CC(=C(C=C3)OC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=O)C=C(C2=O)C)C(C)S(=O)(=O)C3=CC(=C(C=C3)OC)N

InChI

InChI=1S/C38H53NO6S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-45-31-21-19-30(20-22-31)37-36(34(40)26-28(2)38(37)41)29(3)46(42,43)32-23-24-35(44-4)33(39)27-32/h19-24,26-27,29H,5-18,25,39H2,1-4H3