(2-bromophenyl)methyl-methyl-[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-bromophenyl)methyl-methyl-[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-bromophenyl)methyl-methyl-[2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]ammonium CAS Name: (2-bromophenyl)methyl-methyl-[2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: (2-bromophenyl)methyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: (2-bromobenzyl)-[2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl]-methyl-ammonium Formula: C21H27BrN3O4S+ MolecularWeight: 497.42578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+](C)CC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+](C)CC3=CC=CC=C3Br

InChI

InChI=1S/C21H26BrN3O4S/c1-16-7-8-18(30(27,28)25-9-11-29-12-10-25)13-20(16)23-21(26)15-24(2)14-17-5-3-4-6-19(17)22/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)/p+1