5-methoxy-1-[(4-methoxyphenyl)methylsulfonyl]-3-[(E)-18-phenylmethoxyoctadec-1-enyl]indole

Systemtic Name: 5-methoxy-1-[(4-methoxyphenyl)methylsulfonyl]-3-[(E)-18-phenylmethoxyoctadec-1-enyl]indole Openeye Name: 3-[(E)-18-benzyloxyoctadec-1-enyl]-5-methoxy-1-[(4-methoxyphenyl)methylsulfonyl]indole CAS Name: 5-methoxy-1-[(4-methoxyphenyl)methylsulfonyl]-3-[(E)-18-phenylmethoxyoctadec-1-enyl]indole IUPAC Name: 5-methoxy-1-[(4-methoxyphenyl)methylsulfonyl]-3-[(E)-18-phenylmethoxyoctadec-1-enyl]indole Traditional Name: 3-[(E)-18-benzoxyoctadec-1-enyl]-5-methoxy-1-p-anisylsulfonyl-indole Formula: C42H57NO5S MolecularWeight: 687.97068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CS(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)C=CCCCCCCCCCCCCCCCCOCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CS(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)/C=C/CCCCCCCCCCCCCCCCOCC4=CC=CC=C4

InChI

InChI=1S/C42H57NO5S/c1-46-39-27-25-37(26-28-39)35-49(44,45)43-33-38(41-32-40(47-2)29-30-42(41)43)24-20-15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-31-48-34-36-22-18-17-19-23-36/h17-20,22-30,32-33H,3-16,21,31,34-35H2,1-2H3/b24-20+