N-[4-(2-azanylethanoyl)phenyl]thiomorpholine-4-sulfonamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[4-(2-azanylethanoyl)phenyl]thiomorpholine-4-sulfonamide; 4-methylbenzenesulfonic acid Openeye Name: N-[4-(2-aminoacetyl)phenyl]thiomorpholine-4-sulfonamide; 4-methylbenzenesulfonic acid CAS Name: N-[4-(2-amino-1-oxoethyl)phenyl]-4-thiomorpholinesulfonamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[4-(2-aminoacetyl)phenyl]thiomorpholine-4-sulfonamide; 4-methylbenzenesulfonic acid Traditional Name: N-(4-glycylphenyl)thiomorpholine-4-sulfonamide; tosylic acid Formula: C19H25N3O6S3 MolecularWeight: 487.6133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CSCCN1S(=O)(=O)NC2=CC=C(C=C2)C(=O)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CSCCN1S(=O)(=O)NC2=CC=C(C=C2)C(=O)CN

InChI

InChI=1S/C12H17N3O3S2.C7H8O3S/c13-9-12(16)10-1-3-11(4-2-10)14-20(17,18)15-5-7-19-8-6-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,14H,5-9,13H2;2-5H,1H3,(H,8,9,10)