cyclohexylsulfamic acid; 2-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)pent-1-en-3-yl]phthalazin-1-one

Systemtic Name: cyclohexylsulfamic acid; 2-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)pent-1-en-3-yl]phthalazin-1-one Openeye Name: cyclohexylsulfamic acid; 2-[(E)-1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)allyl]phthalazin-1-one CAS Name: cyclohexylsulfamic acid; 2-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)pent-1-en-3-yl]-1-phthalazinone IUPAC Name: cyclohexylsulfamic acid; 2-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)pent-1-en-3-yl]phthalazin-1-one Traditional Name: cyclohexylsulfamic acid; 2-[(E)-1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)allyl]phthalazin-1-one Formula: C28H38N4O5S MolecularWeight: 542.69012

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C=CC1=CC=C(C=C1)OC)N2C(=O)C3=CC=CC=C3C=N2.C1CCC(CC1)NS(=O)(=O)O

Isomeric SMILES

CN(C)CCC(/C=C/C1=CC=C(C=C1)OC)N2C(=O)C3=CC=CC=C3C=N2.C1CCC(CC1)NS(=O)(=O)O

InChI

InChI=1S/C22H25N3O2.C6H13NO3S/c1-24(2)15-14-19(11-8-17-9-12-20(27-3)13-10-17)25-22(26)21-7-5-4-6-18(21)16-23-25;8-11(9,10)7-6-4-2-1-3-5-6/h4-13,16,19H,14-15H2,1-3H3;6-7H,1-5H2,(H,8,9,10)/b11-8+;