1-[3,5-bis(chloranyl)pyridin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[3,5-bis(chloranyl)pyridin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane Openeye Name: 1-(3,5-dichloro-4-pyridyl)-4-(1-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-(3,5-dichloro-4-pyridinyl)-4-(1-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-(3,5-dichloropyridin-4-yl)-4-naphthalen-1-ylsulfonyl-1,4-diazepane Traditional Name: 1-(3,5-dichloro-4-pyridyl)-4-(1-naphthylsulfonyl)-1,4-diazepane Formula: C20H19Cl2N3O2S MolecularWeight: 436.35476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=C(C=NC=C4Cl)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=C(C=NC=C4Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O2S/c21-17-13-23-14-18(22)20(17)24-9-4-10-25(12-11-24)28(26,27)19-8-3-6-15-5-1-2-7-16(15)19/h1-3,5-8,13-14H,4,9-12H2