2-methyl-5-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-methyl-5-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 5-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-benzenesulfonamide CAS Name: 2-methyl-5-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 2-methyl-5-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 5-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]-2-methyl-benzenesulfonamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C)S(=O)(=O)N

InChI

InChI=1S/C22H29N3O3S/c1-16(2)19-8-5-18(6-9-19)15-24-10-12-25(13-11-24)22(26)20-7-4-17(3)21(14-20)29(23,27)28/h4-9,14,16H,10-13,15H2,1-3H3,(H2,23,27,28)/p+1