4-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]sulfonylbenzamide Openeye Name: 4-[[4-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]-1-piperidyl]sulfonyl]benzamide CAS Name: 4-[[4-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-1-piperidinyl]sulfonyl]benzamide IUPAC Name: 4-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]piperidin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]piperidino]sulfonylbenzamide Formula: C22H29N4O4S2+ MolecularWeight: 477.62006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CSC=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CSC=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H28N4O4S2/c23-21(27)18-1-3-20(4-2-18)32(29,30)26-8-5-19(6-9-26)22(28)25-12-10-24(11-13-25)15-17-7-14-31-16-17/h1-4,7,14,16,19H,5-6,8-13,15H2,(H2,23,27)/p+1