[(1S)-2-[4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[4-[(4-acetylphenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C23H31N3O4S/c1-18(27)19-12-14-21(15-13-19)31(29,30)26(4)16-8-11-23(28)24-17-22(25(2)3)20-9-6-5-7-10-20/h5-7,9-10,12-15,22H,8,11,16-17H2,1-4H3,(H,24,28)/p+1/t22-/m1/s1