cycloheptyl-[(3S,4R)-4-(4-ethoxyphenyl)sulfonyl-1,1-bis(oxidanylidene)thiolan-3-yl]azanium

Systemtic Name: cycloheptyl-[(3S,4R)-4-(4-ethoxyphenyl)sulfonyl-1,1-bis(oxidanylidene)thiolan-3-yl]azanium Openeye Name: cycloheptyl-[(3S,4R)-4-(4-ethoxyphenyl)sulfonyl-1,1-dioxo-thiolan-3-yl]ammonium CAS Name: cycloheptyl-[(3S,4R)-4-(4-ethoxyphenyl)sulfonyl-1,1-dioxo-3-thiolanyl]ammonium IUPAC Name: cycloheptyl-[(3S,4R)-4-(4-ethoxyphenyl)sulfonyl-1,1-dioxothiolan-3-yl]azanium Traditional Name: cycloheptyl-[(3S,4R)-1,1-diketo-4-p-phenetylsulfonyl-thiolan-3-yl]ammonium Formula: C19H30NO5S2+ MolecularWeight: 416.5752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)C2CS(=O)(=O)CC2[NH2+]C3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C3CCCCCC3

InChI

InChI=1S/C19H29NO5S2/c1-2-25-16-9-11-17(12-10-16)27(23,24)19-14-26(21,22)13-18(19)20-15-7-5-3-4-6-8-15/h9-12,15,18-20H,2-8,13-14H2,1H3/p+1/t18-,19-/m0/s1