2-[[2-[(5-methylimidazol-1-yl)methyl]-2-phenethyl-1,3-dioxolan-4-yl]methylsulfinyl]aniline

Systemtic Name: 2-[[2-[(5-methylimidazol-1-yl)methyl]-2-phenethyl-1,3-dioxolan-4-yl]methylsulfinyl]aniline Openeye Name: 2-[[2-[(5-methylimidazol-1-yl)methyl]-2-phenethyl-1,3-dioxolan-4-yl]methylsulfinyl]aniline CAS Name: 2-[[2-[(5-methyl-1-imidazolyl)methyl]-2-phenethyl-1,3-dioxolan-4-yl]methylsulfinyl]aniline IUPAC Name: 2-[[2-[(5-methylimidazol-1-yl)methyl]-2-phenethyl-1,3-dioxolan-4-yl]methylsulfinyl]aniline Traditional Name: [2-[[2-[(5-methylimidazol-1-yl)methyl]-2-phenethyl-1,3-dioxolan-4-yl]methylsulfinyl]phenyl]amine Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=CN1CC2(OCC(O2)CS(=O)C3=CC=CC=C3N)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CN=CN1CC2(OCC(O2)CS(=O)C3=CC=CC=C3N)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c1-18-13-25-17-26(18)16-23(12-11-19-7-3-2-4-8-19)28-14-20(29-23)15-30(27)22-10-6-5-9-21(22)24/h2-10,13,17,20H,11-12,14-16,24H2,1H3