N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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