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

Systemtic Name: N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-[(2R)-1-phenylbutan-2-yl]pyran-3-yl]methyl]phenyl]-1-methyl-imidazole-2-sulfonamide Openeye Name: N-[3-[[6-[(1R)-1-benzylpropyl]-2-hydroxy-4-oxo-pyran-3-yl]-cyclopropyl-methyl]phenyl]-1-methyl-imidazole-2-sulfonamide CAS Name: N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-[(2R)-1-phenylbutan-2-yl]-3-pyranyl]methyl]phenyl]-1-methyl-2-imidazolesulfonamide IUPAC Name: N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-[(2R)-1-phenylbutan-2-yl]pyran-3-yl]methyl]phenyl]-1-methylimidazole-2-sulfonamide Traditional Name: N-[3-[[6-[(1R)-1-benzylpropyl]-2-hydroxy-4-keto-pyran-3-yl]-cyclopropyl-methyl]phenyl]-1-methyl-imidazole-2-sulfonamide Formula: C29H31N3O5S MolecularWeight: 533.63854

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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=NC=CN5C

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=NC=CN5C

InChI

InChI=1S/C29H31N3O5S/c1-3-20(16-19-8-5-4-6-9-19)25-18-24(33)27(28(34)37-25)26(21-12-13-21)22-10-7-11-23(17-22)31-38(35,36)29-30-14-15-32(29)2/h4-11,14-15,17-18,20-21,26,31,34H,3,12-13,16H2,1-2H3/t20-,26?/m1/s1