4-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(5-chloro-2-methoxy-benzyl)piperazino]sulfonylbenzonitrile Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H20ClN3O3S/c1-26-19-7-4-17(20)12-16(19)14-22-8-10-23(11-9-22)27(24,25)18-5-2-15(13-21)3-6-18/h2-7,12H,8-11,14H2,1H3