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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-propyl-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-propyl-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-propylbenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-propylbenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-propyl-benzamide Formula: C19H30N3O5S2+ MolecularWeight: 444.5886

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S2/c1-3-8-22(17-7-13-28(24,25)15-17)19(23)16-5-4-6-18(14-16)29(26,27)21-11-9-20(2)10-12-21/h4-6,14,17H,3,7-13,15H2,1-2H3/p+1/t17-/m0/s1