N-[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[(3R)-1,1-diketo-3-methyl-thiolan-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C17H26N3O5S2+ MolecularWeight: 416.53544

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@]1(CCS(=O)(=O)C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H25N3O5S2/c1-17(6-11-26(22,23)13-17)18-16(21)14-4-3-5-15(12-14)27(24,25)20-9-7-19(2)8-10-20/h3-5,12H,6-11,13H2,1-2H3,(H,18,21)/p+1/t17-/m1/s1