(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)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-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic 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:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C23H26N6O4S/c24-22-26-20(27-23(28-22)25-18-8-4-3-5-9-18)16-33-21(30)17-10-12-19(13-11-17)34(31,32)29-14-6-1-2-7-15-29/h3-5,8-13H,1-2,6-7,14-16H2,(H3,24,25,26,27,28)