cycloheptyl-[(3S,4R)-4-(2-methoxy-5-methyl-phenyl)sulfonyl-1,1-bis(oxidanylidene)thiolan-3-yl]azanium

Systemtic Name: cycloheptyl-[(3S,4R)-4-(2-methoxy-5-methyl-phenyl)sulfonyl-1,1-bis(oxidanylidene)thiolan-3-yl]azanium Openeye Name: cycloheptyl-[(3S,4R)-4-(2-methoxy-5-methyl-phenyl)sulfonyl-1,1-dioxo-thiolan-3-yl]ammonium CAS Name: cycloheptyl-[(3S,4R)-4-(2-methoxy-5-methylphenyl)sulfonyl-1,1-dioxo-3-thiolanyl]ammonium IUPAC Name: cycloheptyl-[(3S,4R)-4-(2-methoxy-5-methylphenyl)sulfonyl-1,1-dioxothiolan-3-yl]azanium Traditional Name: cycloheptyl-[(3S,4R)-1,1-diketo-4-(2-methoxy-5-methyl-phenyl)sulfonyl-thiolan-3-yl]ammonium Formula: C19H30NO5S2+ MolecularWeight: 416.5752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)C2CS(=O)(=O)CC2[NH2+]C3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C3CCCCCC3

InChI

InChI=1S/C19H29NO5S2/c1-14-9-10-17(25-2)18(11-14)27(23,24)19-13-26(21,22)12-16(19)20-15-7-5-3-4-6-8-15/h9-11,15-16,19-20H,3-8,12-13H2,1-2H3/p+1/t16-,19-/m0/s1