N-[4-[(E)-4-[ethyl-(6-methyl-6-oxidanyl-heptyl)amino]but-1-enyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(E)-4-[ethyl-(6-methyl-6-oxidanyl-heptyl)amino]but-1-enyl]phenyl]methanesulfonamide Openeye Name: N-[4-[(E)-4-[ethyl-(6-hydroxy-6-methyl-heptyl)amino]but-1-enyl]phenyl]methanesulfonamide CAS Name: N-[4-[(E)-4-[ethyl-(6-hydroxy-6-methylheptyl)amino]but-1-enyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(E)-4-[ethyl-(6-hydroxy-6-methylheptyl)amino]but-1-enyl]phenyl]methanesulfonamide Traditional Name: N-[4-[(E)-4-[ethyl-(6-hydroxy-6-methyl-heptyl)amino]but-1-enyl]phenyl]methanesulfonamide Formula: C21H36N2O3S MolecularWeight: 396.58714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCC(C)(C)O)CCC=CC1=CC=C(C=C1)NS(=O)(=O)C

Isomeric SMILES

CCN(CCCCCC(C)(C)O)CC/C=C/C1=CC=C(C=C1)NS(=O)(=O)C

InChI

InChI=1S/C21H36N2O3S/c1-5-23(17-9-6-8-16-21(2,3)24)18-10-7-11-19-12-14-20(15-13-19)22-27(4,25)26/h7,11-15,22,24H,5-6,8-10,16-18H2,1-4H3/b11-7+