1-[3,5-bis(chloranyl)pyridin-4-yl]-4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[3,5-bis(chloranyl)pyridin-4-yl]-4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(3,5-dichloro-4-pyridyl)-4-(4-isopropylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(3,5-dichloro-4-pyridinyl)-4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(3,5-dichloropyridin-4-yl)-4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3,5-dichloro-4-pyridyl)-4-p-cumenylsulfonyl-1,4-diazepane Formula: C19H23Cl2N3O2S MolecularWeight: 428.37582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=NC=C3Cl)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=NC=C3Cl)Cl

InChI

InChI=1S/C19H23Cl2N3O2S/c1-14(2)15-4-6-16(7-5-15)27(25,26)24-9-3-8-23(10-11-24)19-17(20)12-22-13-18(19)21/h4-7,12-14H,3,8-11H2,1-2H3