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

Systemtic Name: N-(cyclohexen-1-yl)-N-(2-methoxyethyl)-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-methoxyethyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(1-cyclohexenyl)-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-(2-methoxyethyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(cyclohexen-1-yl)-N-(2-methoxyethyl)acetamide Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1=CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COCCN(C1=CCCCC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O4S/c1-28-17-16-24(19-8-4-2-5-9-19)21(25)18-22-12-14-23(15-13-22)29(26,27)20-10-6-3-7-11-20/h3,6-8,10-11H,2,4-5,9,12-18H2,1H3/p+1