N-(2-methylsulfonylphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-methylsulfonylphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfonylphenyl)acetamide CAS Name: N-(2-methylsulfonylphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-methylsulfonylphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]-N-(2-mesylphenyl)acetamide Formula: C23H33N3O3S+2 MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C23H31N3O3S/c1-18(2)20-10-8-19(9-11-20)16-25-12-14-26(15-13-25)17-23(27)24-21-6-4-5-7-22(21)30(3,28)29/h4-11,18H,12-17H2,1-3H3,(H,24,27)/p+2