[1-[[[5-(cyclopropylsulfamoyl)-2-methyl-phenyl]carbonylamino]methyl]cycloheptyl]-dimethyl-azanium

Systemtic Name: [1-[[[5-(cyclopropylsulfamoyl)-2-methyl-phenyl]carbonylamino]methyl]cycloheptyl]-dimethyl-azanium Openeye Name: [1-[[[5-(cyclopropylsulfamoyl)-2-methyl-benzoyl]amino]methyl]cycloheptyl]-dimethyl-ammonium CAS Name: [1-[[[[5-(cyclopropylsulfamoyl)-2-methylphenyl]-oxomethyl]amino]methyl]cycloheptyl]-dimethylammonium IUPAC Name: [1-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]cycloheptyl]-dimethylazanium Traditional Name: [1-[[[5-(cyclopropylsulfamoyl)-2-methyl-benzoyl]amino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)NCC3(CCCCCC3)[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)NCC3(CCCCCC3)[NH+](C)C

InChI

InChI=1S/C21H33N3O3S/c1-16-8-11-18(28(26,27)23-17-9-10-17)14-19(16)20(25)22-15-21(24(2)3)12-6-4-5-7-13-21/h8,11,14,17,23H,4-7,9-10,12-13,15H2,1-3H3,(H,22,25)/p+1