1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-(pyridin-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-(pyridin-2-ylmethyl)-1,4-diazepane Openeye Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-(2-pyridylmethyl)-1,4-diazepane CAS Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(2-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(pyridin-2-ylmethyl)-1,4-diazepane Traditional Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-(2-pyridylmethyl)-1,4-diazepane Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C18H22ClN3O3S/c1-25-17-7-6-15(19)13-18(17)26(23,24)22-10-4-9-21(11-12-22)14-16-5-2-3-8-20-16/h2-3,5-8,13H,4,9-12,14H2,1H3