1-ethyl-3-[4-(1-ethyl-2-methyl-indol-3-yl)-1,4-bis-(4-methylphenyl)sulfonyl-butyl]-2-methyl-indole

Systemtic Name: 1-ethyl-3-[4-(1-ethyl-2-methyl-indol-3-yl)-1,4-bis-(4-methylphenyl)sulfonyl-butyl]-2-methyl-indole Openeye Name: 1-ethyl-3-[4-(1-ethyl-2-methyl-indol-3-yl)-1,4-bis(p-tolylsulfonyl)butyl]-2-methyl-indole CAS Name: 1-ethyl-3-[4-(1-ethyl-2-methyl-3-indolyl)-1,4-bis-(4-methylphenyl)sulfonylbutyl]-2-methylindole IUPAC Name: 1-ethyl-3-[4-(1-ethyl-2-methylindol-3-yl)-1,4-bis-(4-methylphenyl)sulfonylbutyl]-2-methylindole Traditional Name: 1-ethyl-3-[4-(1-ethyl-2-methyl-indol-3-yl)-1,4-ditosyl-butyl]-2-methyl-indole Formula: C40H44N2O4S2 MolecularWeight: 680.91836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C21)C(CCC(C3=C(N(C4=CC=CC=C43)CC)C)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C)C

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C21)C(CCC(C3=C(N(C4=CC=CC=C43)CC)C)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C)C

InChI

InChI=1S/C40H44N2O4S2/c1-7-41-29(5)39(33-13-9-11-15-35(33)41)37(47(43,44)31-21-17-27(3)18-22-31)25-26-38(48(45,46)32-23-19-28(4)20-24-32)40-30(6)42(8-2)36-16-12-10-14-34(36)40/h9-24,37-38H,7-8,25-26H2,1-6H3