(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic 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 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H22N6O4S2 MolecularWeight: 474.55648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N6O4S2/c21-19-23-16(24-20(25-19)22-15-5-2-1-3-6-15)13-30-18(27)14-8-10-26(11-9-14)32(28,29)17-7-4-12-31-17/h1-7,12,14H,8-11,13H2,(H3,21,22,23,24,25)