dimethyl-[(2S)-1-[[4-[(4-methylphenyl)sulfamoyl]phenyl]carbonylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-[[4-[(4-methylphenyl)sulfamoyl]phenyl]carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[4-(p-tolylsulfamoyl)benzoyl]amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[[4-[(4-methylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-[[4-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[4-(p-tolylsulfamoyl)benzoyl]amino]ethyl]-dimethyl-ammonium Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(CC3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC[C@H](CC3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C25H29N3O3S/c1-19-9-13-22(14-10-19)27-32(30,31)24-15-11-21(12-16-24)25(29)26-18-23(28(2)3)17-20-7-5-4-6-8-20/h4-16,23,27H,17-18H2,1-3H3,(H,26,29)/p+1/t23-/m0/s1