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

Systemtic Name: 1-(2-naphthalen-1-ylethylsulfonyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane Openeye Name: 1-[2-(1-naphthyl)ethylsulfonyl]-4-(4-pyridylmethyl)-1,4-diazepane CAS Name: 1-[2-(1-naphthalenyl)ethylsulfonyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane IUPAC Name: 1-(2-naphthalen-1-ylethylsulfonyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane Traditional Name: 1-[2-(1-naphthyl)ethylsulfonyl]-4-(4-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=NC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)CCC2=CC=CC3=CC=CC=C32)CC4=CC=NC=C4

InChI

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