N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H26N4O5S/c1-3-32-20-12-11-16(33(30,31)27-13-7-4-8-14-27)15-19(20)24-22(28)21-17-9-5-6-10-18(17)23(29)26(2)25-21/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,24,28)