(2-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: (2-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (2-bromophenyl)methyl-methyl-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: (2-bromophenyl)methyl-methyl-[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (2-bromophenyl)methyl-methyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: (2-bromobenzyl)-[2-keto-2-(4-piperidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C21H27BrN3O3S+ MolecularWeight: 481.42638

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Br)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Br)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26BrN3O3S/c1-24(15-17-7-3-4-8-20(17)22)16-21(26)23-18-9-11-19(12-10-18)29(27,28)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,23,26)/p+1