(3-cyanophenyl)-ethanoyl-[(3-methylsulfonylphenyl)methylamino]-(4-propan-2-ylphenyl)azanium

Systemtic Name: (3-cyanophenyl)-ethanoyl-[(3-methylsulfonylphenyl)methylamino]-(4-propan-2-ylphenyl)azanium Openeye Name: acetyl-(3-cyanophenyl)-(4-isopropylphenyl)-[(3-methylsulfonylphenyl)methylamino]ammonium CAS Name: acetyl-(3-cyanophenyl)-[(3-methylsulfonylphenyl)methylamino]-(4-propan-2-ylphenyl)ammonium IUPAC Name: acetyl-(3-cyanophenyl)-[(3-methylsulfonylphenyl)methylamino]-(4-propan-2-ylphenyl)azanium Traditional Name: acetyl-(3-cyanophenyl)-[(3-mesylbenzyl)amino]-p-cumenyl-ammonium Formula: C26H28N3O3S+ MolecularWeight: 462.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C#N)(C(=O)C)NCC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C#N)(C(=O)C)NCC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C26H28N3O3S/c1-19(2)23-11-13-24(14-12-23)29(20(3)30,25-9-5-7-21(15-25)17-27)28-18-22-8-6-10-26(16-22)33(4,31)32/h5-16,19,28H,18H2,1-4H3/q+1