[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-[2-(phenylthio)-3-pyridyl]methanone Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c1-33(30,31)22-12-10-20(11-13-22)19-27-15-6-16-28(18-17-27)25(29)23-9-5-14-26-24(23)32-21-7-3-2-4-8-21/h2-5,7-14H,6,15-19H2,1H3