N-phenethyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-phenethyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: N-phenethyl-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-phenethyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)-N-phenethyl-acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-19(2)21-8-10-22(11-9-21)30(28,29)26-16-14-25(15-17-26)18-23(27)24-13-12-20-6-4-3-5-7-20/h3-11,19H,12-18H2,1-2H3,(H,24,27)/p+1