azepan-1-yl-[1-(3-chloranyl-4-ethoxy-phenyl)sulfonylpiperidin-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-(3-chloranyl-4-ethoxy-phenyl)sulfonylpiperidin-3-yl]methanone Openeye Name: azepan-1-yl-[1-(3-chloro-4-ethoxy-phenyl)sulfonyl-3-piperidyl]methanone CAS Name: 1-azepanyl-[1-(3-chloro-4-ethoxyphenyl)sulfonyl-3-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidin-3-yl]methanone Traditional Name: azepan-1-yl-[1-(3-chloro-4-ethoxy-phenyl)sulfonyl-3-piperidyl]methanone Formula: C20H29ClN2O4S MolecularWeight: 428.97326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C20H29ClN2O4S/c1-2-27-19-10-9-17(14-18(19)21)28(25,26)23-13-7-8-16(15-23)20(24)22-11-5-3-4-6-12-22/h9-10,14,16H,2-8,11-13,15H2,1H3