(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(phenylsulfonyl)propanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(phenylsulfonyl)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)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-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4S/c20-18-22-16(23-19(24-18)21-14-7-3-1-4-8-14)13-28-17(25)11-12-29(26,27)15-9-5-2-6-10-15/h1-10H,11-13H2,(H3,20,21,22,23,24)