[(1S)-1-(2-chlorophenyl)-2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-chlorophenyl)-2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-chlorophenyl)-2-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-chlorophenyl)-2-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-chlorophenyl)-2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-chlorophenyl)-2-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]ethyl]-dimethyl-ammonium Formula: C23H31ClN3O3S+ MolecularWeight: 465.02854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC=CC=C2Cl)[NH+](C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H30ClN3O3S/c1-17-11-12-18(15-22(17)31(29,30)27-13-7-4-8-14-27)23(28)25-16-21(26(2)3)19-9-5-6-10-20(19)24/h5-6,9-12,15,21H,4,7-8,13-14,16H2,1-3H3,(H,25,28)/p+1/t21-/m1/s1