4-(aminomethyl)benzenesulfonamide; 1-(4-aminophenyl)sulfonylthiourea; 4-azanyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

Systemtic Name: 4-(aminomethyl)benzenesulfonamide; 1-(4-aminophenyl)sulfonylthiourea; 4-azanyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide Openeye Name: 4-(aminomethyl)benzenesulfonamide; 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide; (4-aminophenyl)sulfonylthiourea CAS Name: 4-(aminomethyl)benzenesulfonamide; 4-amino-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide; (4-aminophenyl)sulfonylthiourea IUPAC Name: 4-(aminomethyl)benzenesulfonamide; 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide; (4-aminophenyl)sulfonylthiourea Traditional Name: 4-(aminomethyl)benzenesulfonamide; 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide; sulfanilylthiourea Formula: C25H31N9O6S4 MolecularWeight: 681.83034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N.C1=CC(=CC=C1CN)S(=O)(=O)N.C1=CC(=CC=C1N)S(=O)(=O)NC(=S)N

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N.C1=CC(=CC=C1CN)S(=O)(=O)N.C1=CC(=CC=C1N)S(=O)(=O)NC(=S)N

InChI

InChI=1S/C11H12N4O2S.C7H9N3O2S2.C7H10N2O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;8-5-1-3-6(4-2-5)14(11,12)10-7(9)13;8-5-6-1-3-7(4-2-6)12(9,10)11/h2-7H,12H2,1H3,(H,13,14,15);1-4H,8H2,(H3,9,10,13);1-4H,5,8H2,(H2,9,10,11)