N-[(2R)-3-(1H-indol-5-yloxy)-2-oxidanyl-propyl]-N-(2-methylpropyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-3-(1H-indol-5-yloxy)-2-oxidanyl-propyl]-N-(2-methylpropyl)-4-nitro-benzenesulfonamide Openeye Name: N-[(2R)-2-hydroxy-3-(1H-indol-5-yloxy)propyl]-N-isobutyl-4-nitro-benzenesulfonamide CAS Name: N-[(2R)-2-hydroxy-3-(1H-indol-5-yloxy)propyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-2-hydroxy-3-(1H-indol-5-yloxy)propyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide Traditional Name: N-[(2R)-2-hydroxy-3-(1H-indol-5-yloxy)propyl]-N-isobutyl-4-nitro-benzenesulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(COC1=CC2=C(C=C1)NC=C2)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(C[C@H](COC1=CC2=C(C=C1)NC=C2)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-15(2)12-23(31(28,29)20-6-3-17(4-7-20)24(26)27)13-18(25)14-30-19-5-8-21-16(11-19)9-10-22-21/h3-11,15,18,22,25H,12-14H2,1-2H3/t18-/m1/s1