N-[(2R,3S)-2-methoxy-4-phenyl-3-(propylsulfonylamino)butyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide

Systemtic Name: N-[(2R,3S)-2-methoxy-4-phenyl-3-(propylsulfonylamino)butyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide Openeye Name: N-isobutyl-N-[(2R,3S)-2-methoxy-4-phenyl-3-(propylsulfonylamino)butyl]benzofuran-5-sulfonamide CAS Name: N-[(2R,3S)-2-methoxy-4-phenyl-3-(propylsulfonylamino)butyl]-N-(2-methylpropyl)-5-benzofuransulfonamide IUPAC Name: N-[(2R,3S)-2-methoxy-4-phenyl-3-(propylsulfonylamino)butyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide Traditional Name: N-isobutyl-N-[(2R,3S)-2-methoxy-4-phenyl-3-(propylsulfonylamino)butyl]benzofuran-5-sulfonamide Formula: C26H36N2O6S2 MolecularWeight: 536.70384

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OC=C3)OC

Isomeric SMILES

CCCS(=O)(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OC=C3)OC

InChI

InChI=1S/C26H36N2O6S2/c1-5-15-35(29,30)27-24(16-21-9-7-6-8-10-21)26(33-4)19-28(18-20(2)3)36(31,32)23-11-12-25-22(17-23)13-14-34-25/h6-14,17,20,24,26-27H,5,15-16,18-19H2,1-4H3/t24-,26+/m0/s1