2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-(2-furylmethyl)acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-(1-cyclohexenyl)-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-(2-furfuryl)acetamide Formula: C21H27ClN3O4S2+ MolecularWeight: 485.03978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H26ClN3O4S2/c22-19-8-9-21(30-19)31(27,28)24-12-10-23(11-13-24)16-20(26)25(15-18-7-4-14-29-18)17-5-2-1-3-6-17/h4-5,7-9,14H,1-3,6,10-13,15-16H2/p+1