N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-[(2R)-1-phenylbutan-2-yl]pyran-3-yl]methyl]phenyl]-1H-benzimidazole-2-sulfonamide

Systemtic Name: N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-[(2R)-1-phenylbutan-2-yl]pyran-3-yl]methyl]phenyl]-1H-benzimidazole-2-sulfonamide Openeye Name: N-[3-[[6-[(1R)-1-benzylpropyl]-2-hydroxy-4-oxo-pyran-3-yl]-cyclopropyl-methyl]phenyl]-1H-benzimidazole-2-sulfonamide CAS Name: N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-[(2R)-1-phenylbutan-2-yl]-3-pyranyl]methyl]phenyl]-1H-benzimidazole-2-sulfonamide IUPAC Name: N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-[(2R)-1-phenylbutan-2-yl]pyran-3-yl]methyl]phenyl]-1H-benzimidazole-2-sulfonamide Traditional Name: N-[3-[[6-[(1R)-1-benzylpropyl]-2-hydroxy-4-keto-pyran-3-yl]-cyclopropyl-methyl]phenyl]-1H-benzimidazole-2-sulfonamide Formula: C32H31N3O5S MolecularWeight: 569.67064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CC[C@H](CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C32H31N3O5S/c1-2-21(17-20-9-4-3-5-10-20)28-19-27(36)30(31(37)40-28)29(22-15-16-22)23-11-8-12-24(18-23)35-41(38,39)32-33-25-13-6-7-14-26(25)34-32/h3-14,18-19,21-22,29,35,37H,2,15-17H2,1H3,(H,33,34)/t21-,29?/m1/s1