2-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-5-piperidinosulfonyl-N-veratryl-benzamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)OC

InChI

InChI=1S/C21H25ClN2O5S/c1-28-19-9-6-15(12-20(19)29-2)14-23-21(25)17-13-16(7-8-18(17)22)30(26,27)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,25)