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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3S/c1-25-17-4-3-16(19)13-18(17)26(23,24)22-10-2-9-21(11-12-22)14-15-5-7-20-8-6-15/h3-8,13H,2,9-12,14H2,1H3