2-(2-azanyl-2-phenyl-ethyl)-4-(3-methoxyphenyl)-5-methyl-6-[(2-methylsulfonylphenyl)methyl]pyridazin-3-one

Systemtic Name: 2-(2-azanyl-2-phenyl-ethyl)-4-(3-methoxyphenyl)-5-methyl-6-[(2-methylsulfonylphenyl)methyl]pyridazin-3-one Openeye Name: 2-(2-amino-2-phenyl-ethyl)-4-(3-methoxyphenyl)-5-methyl-6-[(2-methylsulfonylphenyl)methyl]pyridazin-3-one CAS Name: 2-(2-amino-2-phenylethyl)-4-(3-methoxyphenyl)-5-methyl-6-[(2-methylsulfonylphenyl)methyl]-3-pyridazinone IUPAC Name: 2-(2-amino-2-phenylethyl)-4-(3-methoxyphenyl)-5-methyl-6-[(2-methylsulfonylphenyl)methyl]pyridazin-3-one Traditional Name: 2-(2-amino-2-phenyl-ethyl)-6-(2-mesylbenzyl)-4-(3-methoxyphenyl)-5-methyl-pyridazin-3-one Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1CC2=CC=CC=C2S(=O)(=O)C)CC(C3=CC=CC=C3)N)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C(=O)N(N=C1CC2=CC=CC=C2S(=O)(=O)C)CC(C3=CC=CC=C3)N)C4=CC(=CC=C4)OC

InChI

InChI=1S/C28H29N3O4S/c1-19-25(17-21-12-7-8-15-26(21)36(3,33)34)30-31(18-24(29)20-10-5-4-6-11-20)28(32)27(19)22-13-9-14-23(16-22)35-2/h4-16,24H,17-18,29H2,1-3H3