N-heptan-4-yl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide

Systemtic Name: N-heptan-4-yl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide Openeye Name: 4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(1-propylbutyl)benzenesulfonamide CAS Name: N-heptan-4-yl-4-[4-[2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl]phenyl]benzenesulfonamide IUPAC Name: N-heptan-4-yl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide Traditional Name: 4-[4-[2-[(2R)-2-methylpyrrolidino]ethyl]phenyl]-N-(1-propylbutyl)benzenesulfonamide Formula: C26H38N2O2S MolecularWeight: 442.65712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)CCN3CCCC3C

Isomeric SMILES

CCCC(CCC)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)CCN3CCC[C@H]3C

InChI

InChI=1S/C26H38N2O2S/c1-4-7-25(8-5-2)27-31(29,30)26-16-14-24(15-17-26)23-12-10-22(11-13-23)18-20-28-19-6-9-21(28)3/h10-17,21,25,27H,4-9,18-20H2,1-3H3/t21-/m1/s1