2-[4-[2-[2-(4-phenanthren-2-ylbutylamino)ethylsulfanylsulfonyloxy]ethylamino]butyl]phenanthrene

Systemtic Name: 2-[4-[2-[2-(4-phenanthren-2-ylbutylamino)ethylsulfanylsulfonyloxy]ethylamino]butyl]phenanthrene Openeye Name: 2-[4-[2-[2-[4-(2-phenanthryl)butylamino]ethylsulfanylsulfonyloxy]ethylamino]butyl]phenanthrene CAS Name: 2-[4-[2-[2-[4-(2-phenanthrenyl)butylamino]ethylthio]sulfonyloxyethylamino]butyl]phenanthrene IUPAC Name: 2-[4-[2-[2-(4-phenanthren-2-ylbutylamino)ethylsulfanylsulfonyloxy]ethylamino]butyl]phenanthrene Traditional Name: 2-[4-[2-[2-[4-(2-phenanthryl)butylamino]ethylthio]sulfonyloxyethylamino]butyl]phenanthrene Formula: C40H44N2O3S2 MolecularWeight: 664.91896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)CCCCNCCOS(=O)(=O)SCCNCCCCC4=CC5=C(C=C4)C6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)CCCCNCCOS(=O)(=O)SCCNCCCCC4=CC5=C(C=C4)C6=CC=CC=C6C=C5

InChI

InChI=1S/C40H44N2O3S2/c43-47(44,45-27-25-41-23-7-5-9-31-15-21-39-35(29-31)19-17-33-11-1-3-13-37(33)39)46-28-26-42-24-8-6-10-32-16-22-40-36(30-32)20-18-34-12-2-4-14-38(34)40/h1-4,11-22,29-30,41-42H,5-10,23-28H2