5-[2-chloroethyl-(phenylmethyl)amino]-2-methyl-4-(phenylmethyl)sulfonyl-pyridazin-3-one

Systemtic Name: 5-[2-chloroethyl-(phenylmethyl)amino]-2-methyl-4-(phenylmethyl)sulfonyl-pyridazin-3-one Openeye Name: 5-[benzyl(2-chloroethyl)amino]-4-benzylsulfonyl-2-methyl-pyridazin-3-one CAS Name: 5-[2-chloroethyl-(phenylmethyl)amino]-2-methyl-4-(phenylmethyl)sulfonyl-3-pyridazinone IUPAC Name: 5-[benzyl(2-chloroethyl)amino]-4-benzylsulfonyl-2-methylpyridazin-3-one Traditional Name: 5-[benzyl(2-chloroethyl)amino]-4-benzylsulfonyl-2-methyl-pyridazin-3-one Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)N(CCCl)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(C=N1)N(CCCl)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O3S/c1-24-21(26)20(29(27,28)16-18-10-6-3-7-11-18)19(14-23-24)25(13-12-22)15-17-8-4-2-5-9-17/h2-11,14H,12-13,15-16H2,1H3