4-[4-[(2S,4R)-6-oxidanylidene-4-(phenylsulfonylmethyl)oxan-2-yl]butyl]benzenecarboximidamide

Systemtic Name: 4-[4-[(2S,4R)-6-oxidanylidene-4-(phenylsulfonylmethyl)oxan-2-yl]butyl]benzenecarboximidamide Openeye Name: 4-[4-[(2S,4R)-4-(benzenesulfonylmethyl)-6-oxo-tetrahydropyran-2-yl]butyl]benzamidine CAS Name: 4-[4-[(2S,4R)-4-(benzenesulfonylmethyl)-6-oxo-2-oxanyl]butyl]benzenecarboximidamide IUPAC Name: 4-[4-[(2S,4R)-4-(benzenesulfonylmethyl)-6-oxooxan-2-yl]butyl]benzenecarboximidamide Traditional Name: 4-[4-[(2S,4R)-4-(besylmethyl)-6-keto-tetrahydropyran-2-yl]butyl]benzamidine Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)OC1CCCCC2=CC=C(C=C2)C(=N)N)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1[C@H](CC(=O)O[C@H]1CCCCC2=CC=C(C=C2)C(=N)N)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4S/c24-23(25)19-12-10-17(11-13-19)6-4-5-7-20-14-18(15-22(26)29-20)16-30(27,28)21-8-2-1-3-9-21/h1-3,8-13,18,20H,4-7,14-16H2,(H3,24,25)/t18-,20+/m1/s1