N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide

Systemtic Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide Openeye Name: N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-6-oxo-1-propyl-pyridazine-3-carboxamide CAS Name: N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-6-oxo-1-propyl-3-pyridazinecarboxamide IUPAC Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide Traditional Name: N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-6-keto-1-propyl-pyridazine-3-carboxamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C)C

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C)C

InChI

InChI=1S/C21H29N5O4S/c1-4-12-26-20(27)11-9-17(23-26)21(28)22-18-15-16(8-10-19(18)24(2)3)31(29,30)25-13-6-5-7-14-25/h8-11,15H,4-7,12-14H2,1-3H3,(H,22,28)