2-(2-phenylethenylsulfonyl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-phenylethenylsulfonyl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]-2-styrylsulfonyl-ethanone CAS Name: 2-(2-phenylethenylsulfonyl)-1-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-phenylethenylsulfonyl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]-2-styrylsulfonyl-ethanone Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CS(=O)(=O)C=CC2=CC=CC=C2)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CS(=O)(=O)C=CC2=CC=CC=C2)CC3=CC=CC=N3

InChI

InChI=1S/C21H25N3O3S/c25-21(18-28(26,27)16-10-19-7-2-1-3-8-19)24-13-6-12-23(14-15-24)17-20-9-4-5-11-22-20/h1-5,7-11,16H,6,12-15,17-18H2