1-(2-naphthalen-1-ylethylsulfonyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(2-naphthalen-1-ylethylsulfonyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[2-(1-naphthyl)ethylsulfonyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[2-(1-naphthalenyl)ethylsulfonyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-(2-naphthalen-1-ylethylsulfonyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[2-(1-naphthyl)ethylsulfonyl]-4-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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