(2-bromophenyl)methyl-methyl-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-bromophenyl)methyl-methyl-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-bromophenyl)methyl-methyl-[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: (2-bromophenyl)methyl-methyl-[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: (2-bromophenyl)methyl-methyl-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: (2-bromobenzyl)-[2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl]-methyl-ammonium Formula: C22H29BrN3O3S+ MolecularWeight: 495.45296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](C)CC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](C)CC3=CC=CC=C3Br

InChI

InChI=1S/C22H28BrN3O3S/c1-17-10-11-19(30(28,29)26-12-6-3-7-13-26)14-21(17)24-22(27)16-25(2)15-18-8-4-5-9-20(18)23/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,24,27)/p+1