1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-(3-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=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=CN=CC=C3

InChI

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