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

Systemtic Name: dimethyl-[(1S)-2-[[4-[(4-methylphenyl)sulfamoyl]phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[4-(p-tolylsulfamoyl)benzoyl]amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[4-[(4-methylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[4-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[4-(p-tolylsulfamoyl)benzoyl]amino]-1-(3-thienyl)ethyl]ammonium Formula: C22H26N3O3S2+ MolecularWeight: 444.59014

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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(C3=CSC=C3)[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-16-4-8-19(9-5-16)24-30(27,28)20-10-6-17(7-11-20)22(26)23-14-21(25(2)3)18-12-13-29-15-18/h4-13,15,21,24H,14H2,1-3H3,(H,23,26)/p+1/t21-/m1/s1