(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H24N6O4S/c23-21-25-19(26-22(27-21)24-16-9-3-1-4-10-16)15-32-20(29)17-11-5-6-12-18(17)33(30,31)28-13-7-2-8-14-28/h1,3-6,9-12H,2,7-8,13-15H2,(H3,23,24,25,26,27)