4-(azepan-1-ium-1-ylmethyl)-N-[(3S,4S)-4-oxidanyl-1,1-bis(oxidanylidene)thiolan-3-yl]benzamide

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-N-[(3S,4S)-4-oxidanyl-1,1-bis(oxidanylidene)thiolan-3-yl]benzamide Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxo-thiolan-3-yl]benzamide CAS Name: 4-(1-azepan-1-iumylmethyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxo-3-thiolanyl]benzamide IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]benzamide Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-N-[(3S,4S)-4-hydroxy-1,1-diketo-thiolan-3-yl]benzamide Formula: C18H27N2O4S+ MolecularWeight: 367.48298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3CS(=O)(=O)CC3O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O

InChI

InChI=1S/C18H26N2O4S/c21-17-13-25(23,24)12-16(17)19-18(22)15-7-5-14(6-8-15)11-20-9-3-1-2-4-10-20/h5-8,16-17,21H,1-4,9-13H2,(H,19,22)/p+1/t16-,17-/m1/s1