1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one

Systemtic Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one Openeye Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-styrylsulfanyl-propan-1-one CAS Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylthio)-1-propanone IUPAC Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one Traditional Name: 1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-3-(styrylthio)propan-1-one Formula: C24H30N2O3S2 MolecularWeight: 458.6366

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCSC=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCSC=CC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3S2/c1-31(28,29)23-10-8-22(9-11-23)20-25-14-5-15-26(17-16-25)24(27)13-19-30-18-12-21-6-3-2-4-7-21/h2-4,6-12,18H,5,13-17,19-20H2,1H3