(4-bromophenyl)methyl-methyl-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[2-[(4-morpholinosulfonylphenyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-[[4-(4-morpholinylsulfonyl)phenyl]methylamino]-2-oxoethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]azanium Traditional Name: (4-bromobenzyl)-[2-keto-2-[(4-morpholinosulfonylbenzyl)amino]ethyl]-methyl-ammonium Formula: C21H27BrN3O4S+ MolecularWeight: 497.42578

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H26BrN3O4S/c1-24(15-18-2-6-19(22)7-3-18)16-21(26)23-14-17-4-8-20(9-5-17)30(27,28)25-10-12-29-13-11-25/h2-9H,10-16H2,1H3,(H,23,26)/p+1