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

Systemtic Name: 2-bromanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-methyl-5-pyrrolidinosulfonyl-N-veratryl-benzamide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-23(14-15-6-9-19(28-2)20(12-15)29-3)21(25)17-13-16(7-8-18(17)22)30(26,27)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11,14H2,1-3H3