1-[[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]methyl]azepane

Systemtic Name: 1-[[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]methyl]azepane Openeye Name: 1-[[1-(3-chloro-4-methoxy-phenyl)sulfonyl-4-piperidyl]methyl]azepane CAS Name: 1-[[1-(3-chloro-4-methoxyphenyl)sulfonyl-4-piperidinyl]methyl]azepane IUPAC Name: 1-[[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]azepane Traditional Name: 1-[[1-(3-chloro-4-methoxy-phenyl)sulfonyl-4-piperidyl]methyl]azepane Formula: C19H29ClN2O3S MolecularWeight: 400.96316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3CCCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3CCCCCC3)Cl

InChI

InChI=1S/C19H29ClN2O3S/c1-25-19-7-6-17(14-18(19)20)26(23,24)22-12-8-16(9-13-22)15-21-10-4-2-3-5-11-21/h6-7,14,16H,2-5,8-13,15H2,1H3