N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(1-cyclohexenyl)-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(cyclohexen-1-yl)-N-(2-furfuryl)acetamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c27-23(26(18-21-10-7-17-30-21)20-8-3-1-4-9-20)19-24-13-15-25(16-14-24)31(28,29)22-11-5-2-6-12-22/h2,5-8,10-12,17H,1,3-4,9,13-16,18-19H2/p+1