2-(2-methylpropyl)-N-[(2R)-2-oxidanyl-3-[(phenylmethyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

Systemtic Name: 2-(2-methylpropyl)-N-[(2R)-2-oxidanyl-3-[(phenylmethyl)amino]propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide Openeye Name: N-[(2R)-3-(benzylamino)-2-hydroxy-propyl]-2-isobutyl-2,3-dihydrobenzofuran-5-sulfonamide CAS Name: N-[(2R)-2-hydroxy-3-[(phenylmethyl)amino]propyl]-2-(2-methylpropyl)-2,3-dihydrobenzofuran-5-sulfonamide IUPAC Name: N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-2-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide Traditional Name: N-[(2R)-3-(benzylamino)-2-hydroxy-propyl]-2-isobutyl-coumaran-5-sulfonamide Formula: C22H30N2O4S MolecularWeight: 418.5496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)NCC(CNCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)NC[C@@H](CNCC3=CC=CC=C3)O

InChI

InChI=1S/C22H30N2O4S/c1-16(2)10-20-11-18-12-21(8-9-22(18)28-20)29(26,27)24-15-19(25)14-23-13-17-6-4-3-5-7-17/h3-9,12,16,19-20,23-25H,10-11,13-15H2,1-2H3/t19-,20?/m1/s1