[(2R)-1-[[2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]-3-methyl-butan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-[[2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]-3-methyl-butan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-[[[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium CAS Name: [(2R)-1-[[[2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-methylbutan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-[[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]amino]-3-methylbutan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-[[[2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium Formula: C24H34ClN4O3S+ MolecularWeight: 494.06976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl)[NH+](C)C

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl)[NH+](C)C

InChI

InChI=1S/C24H33ClN4O3S/c1-18(2)23(27(3)4)17-26-24(30)21-16-20(10-11-22(21)25)33(31,32)29-14-12-28(13-15-29)19-8-6-5-7-9-19/h5-11,16,18,23H,12-15,17H2,1-4H3,(H,26,30)/p+1/t23-/m0/s1