N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

Systemtic Name: N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide Openeye Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-2,3-dihydrobenzofuran-5-sulfonamide CAS Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-2,3-dihydrobenzofuran-5-sulfonamide IUPAC Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide Traditional Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-coumaran-5-sulfonamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC3=C(C=C2)OCC3

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC3=C(C=C2)OCC3

InChI

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