4-[3-(azocan-1-ylsulfonyl)-4-methyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

Systemtic Name: 4-[3-(azocan-1-ylsulfonyl)-4-methyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Openeye Name: 4-[3-(azocan-1-ylsulfonyl)-4-methyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one CAS Name: 4-[3-(1-azocanylsulfonyl)-4-methylphenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one IUPAC Name: 4-[3-(azocan-1-ylsulfonyl)-4-methylphenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Traditional Name: 4-[3-(azocan-1-ylsulfonyl)-4-methyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)N4CCCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)N4CCCCCCC4

InChI

InChI=1S/C22H29N3O3S/c1-16-11-12-17(21-18-9-5-6-10-19(18)22(26)24-23-21)15-20(16)29(27,28)25-13-7-3-2-4-8-14-25/h11-12,15H,2-10,13-14H2,1H3,(H,24,26)