methyl-[2-[(4-methyl-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-[(4-methyl-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[2-(4-methyl-3-sulfamoyl-anilino)-2-oxo-ethyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-keto-2-(4-methyl-3-sulfamoyl-anilino)ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=CC=C2N3CCCCC3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=CC=C2N3CCCCC3)S(=O)(=O)N

InChI

InChI=1S/C22H30N4O3S/c1-17-10-11-19(14-21(17)30(23,28)29)24-22(27)16-25(2)15-18-8-4-5-9-20(18)26-12-6-3-7-13-26/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,24,27)(H2,23,28,29)/p+1