N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-propyl-benzamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-propyl-benzamide Openeye Name: 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-propyl-benzamide CAS Name: 2-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-propylbenzamide IUPAC Name: 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-propylbenzamide Traditional Name: 2-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-propyl-benzamide Formula: C20H31ClN3O5S2+ MolecularWeight: 493.06024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN3O5S2/c1-3-8-24(16-7-13-30(26,27)15-16)20(25)18-14-17(5-6-19(18)21)31(28,29)23-11-9-22(4-2)10-12-23/h5-6,14,16H,3-4,7-13,15H2,1-2H3/p+1/t16-/m0/s1