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

Systemtic Name: 2-[1-(4-aminophenyl)sulfonylethyl]-3-(4-hexadecoxyphenyl)-5-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[1-(4-aminophenyl)sulfonylethyl]-3-(4-hexadecoxyphenyl)-5-methyl-1,4-benzoquinone CAS Name: 2-[1-(4-aminophenyl)sulfonylethyl]-3-(4-hexadecoxyphenyl)-5-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[1-(4-aminophenyl)sulfonylethyl]-3-(4-hexadecoxyphenyl)-5-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 3-(4-cetyloxyphenyl)-5-methyl-2-(1-sulfanilylethyl)-p-benzoquinone Formula: C37H51NO5S MolecularWeight: 621.86954

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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)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)N

InChI

InChI=1S/C37H51NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-43-32-22-18-30(19-23-32)36-35(34(39)27-28(2)37(36)40)29(3)44(41,42)33-24-20-31(38)21-25-33/h18-25,27,29H,4-17,26,38H2,1-3H3