dimethyl-[(1S)-2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-methyl-5-(m-tolylsulfamoyl)benzoyl]amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[2-methyl-5-(m-tolylsulfamoyl)benzoyl]amino]-1-(3-thienyl)ethyl]ammonium Formula: C23H28N3O3S2+ MolecularWeight: 458.61672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S2/c1-16-6-5-7-19(12-16)25-31(28,29)20-9-8-17(2)21(13-20)23(27)24-14-22(26(3)4)18-10-11-30-15-18/h5-13,15,22,25H,14H2,1-4H3,(H,24,27)/p+1/t22-/m1/s1