N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(3,4-dimethoxyphenyl)propanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(3,4-dimethoxyphenyl)propanamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(3,4-dimethoxyphenyl)propanamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-(3,4-dimethoxyphenyl)propionamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C21H25ClN2O5S/c1-28-18-9-5-15(13-19(18)29-2)6-10-21(25)23-16-7-8-17(22)20(14-16)30(26,27)24-11-3-4-12-24/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H,23,25)