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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)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-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H21ClN6O4S MolecularWeight: 488.94724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)Cl

InChI

InChI=1S/C21H21ClN6O4S/c22-16-9-8-14(12-17(16)33(30,31)28-10-4-5-11-28)19(29)32-13-18-25-20(23)27-21(26-18)24-15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13H2,(H3,23,24,25,26,27)