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

Systemtic Name: 4-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Openeye Name: 4-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one CAS Name: 4-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one IUPAC Name: 4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Traditional Name: 4-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3C2CCCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3C2CCCC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H29N3O3S/c1-15-10-11-16(20-17-8-4-5-9-18(17)21(25)23-22-20)14-19(15)28(26,27)24-12-6-2-3-7-13-24/h10-11,14,17-18H,2-9,12-13H2,1H3,(H,23,25)