1-(2-azanyl-1-oxidanyl-ethyl)-4-[[methyl-(phenylmethyl)sulfamoyl]amino]benzene; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(2-azanyl-1-oxidanyl-ethyl)-4-[[methyl-(phenylmethyl)sulfamoyl]amino]benzene; 4-methylbenzenesulfonic acid Openeye Name: 1-(2-amino-1-hydroxy-ethyl)-4-[[benzyl(methyl)sulfamoyl]amino]benzene; 4-methylbenzenesulfonic acid CAS Name: 1-(2-amino-1-hydroxyethyl)-4-[[methyl-(phenylmethyl)sulfamoyl]amino]benzene; 4-methylbenzenesulfonic acid IUPAC Name: 1-(2-amino-1-hydroxyethyl)-4-[[benzyl(methyl)sulfamoyl]amino]benzene; 4-methylbenzenesulfonic acid Traditional Name: 1-(2-amino-1-hydroxy-ethyl)-4-[[benzyl(methyl)sulfamoyl]amino]benzene; tosylic acid Formula: C23H29N3O6S2 MolecularWeight: 507.62286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(CC1=CC=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)C(CN)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(CC1=CC=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)C(CN)O

InChI

InChI=1S/C16H21N3O3S.C7H8O3S/c1-19(12-13-5-3-2-4-6-13)23(21,22)18-15-9-7-14(8-10-15)16(20)11-17;1-6-2-4-7(5-3-6)11(8,9)10/h2-10,16,18,20H,11-12,17H2,1H3;2-5H,1H3,(H,8,9,10)