4-butoxy-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methoxy-benzamide

Systemtic Name: 4-butoxy-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methoxy-benzamide Openeye Name: 4-butoxy-N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methoxy-benzamide CAS Name: 4-butoxy-N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-methoxybenzamide IUPAC Name: 4-butoxy-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide Traditional Name: 4-butoxy-N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-methoxy-benzamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C22H27ClN2O5S/c1-3-4-13-30-19-10-7-16(14-20(19)29-2)22(26)24-17-8-9-18(23)21(15-17)31(27,28)25-11-5-6-12-25/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,24,26)