2-bromanyl-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-2-bromo-N-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-allyloxybenzyl)-2-bromo-N-methyl-5-pyrrolidinosulfonyl-benzamide Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4S/c1-3-14-29-18-8-6-17(7-9-18)16-24(2)22(26)20-15-19(10-11-21(20)23)30(27,28)25-12-4-5-13-25/h3,6-11,15H,1,4-5,12-14,16H2,2H3