(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]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 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C23H26N6O4S MolecularWeight: 482.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C23H26N6O4S/c1-16-11-13-29(14-12-16)34(31,32)19-9-7-17(8-10-19)21(30)33-15-20-26-22(24)28-23(27-20)25-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H3,24,25,26,27,28)