diethyl-(2-phenylazanylphenyl)sulfonyl-[1-(phenylmethyl)piperidin-4-yl]azanium

Systemtic Name: diethyl-(2-phenylazanylphenyl)sulfonyl-[1-(phenylmethyl)piperidin-4-yl]azanium Openeye Name: (2-anilinophenyl)sulfonyl-(1-benzyl-4-piperidyl)-diethyl-ammonium CAS Name: (2-anilinophenyl)sulfonyl-diethyl-[1-(phenylmethyl)-4-piperidinyl]ammonium IUPAC Name: (2-anilinophenyl)sulfonyl-(1-benzylpiperidin-4-yl)-diethylazanium Traditional Name: (2-anilinophenyl)sulfonyl-(1-benzyl-4-piperidyl)-diethyl-ammonium Formula: C28H36N3O2S+ MolecularWeight: 478.66934

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3NC4=CC=CC=C4

Isomeric SMILES

CC[N+](CC)(C1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3NC4=CC=CC=C4

InChI

InChI=1S/C28H36N3O2S/c1-3-31(4-2,26-19-21-30(22-20-26)23-24-13-7-5-8-14-24)34(32,33)28-18-12-11-17-27(28)29-25-15-9-6-10-16-25/h5-18,26,29H,3-4,19-23H2,1-2H3/q+1