1-(2-naphthalen-1-ylethylsulfonyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(2-naphthalen-1-ylethylsulfonyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane Openeye Name: 1-[2-(1-naphthyl)ethylsulfonyl]-4-(2-pyridylmethyl)-1,4-diazepane CAS Name: 1-[2-(1-naphthalenyl)ethylsulfonyl]-4-(2-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-(2-naphthalen-1-ylethylsulfonyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane Traditional Name: 1-[2-(1-naphthyl)ethylsulfonyl]-4-(2-pyridylmethyl)-1,4-diazepane Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)CCC2=CC=CC3=CC=CC=C32)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)CCC2=CC=CC3=CC=CC=C32)CC4=CC=CC=N4

InChI

InChI=1S/C23H27N3O2S/c27-29(28,18-12-21-9-5-8-20-7-1-2-11-23(20)21)26-15-6-14-25(16-17-26)19-22-10-3-4-13-24-22/h1-5,7-11,13H,6,12,14-19H2