(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic 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 3-[(4-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H19ClN6O4S MolecularWeight: 462.90996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN6O4S/c20-13-6-8-15(9-7-13)31(28,29)22-11-10-17(27)30-12-16-24-18(21)26-19(25-16)23-14-4-2-1-3-5-14/h1-9,22H,10-12H2,(H3,21,23,24,25,26)