4-[[(3-bromanyl-4-methoxy-phenyl)sulfonyl-methyl-amino]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[(3-bromanyl-4-methoxy-phenyl)sulfonyl-methyl-amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[(3-bromo-4-methoxy-phenyl)sulfonyl-methyl-amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[(3-bromo-4-methoxy-phenyl)sulfonyl-methyl-amino]methyl]-N-cyclopropyl-benzamide Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C19H21BrN2O4S/c1-22(27(24,25)16-9-10-18(26-2)17(20)11-16)12-13-3-5-14(6-4-13)19(23)21-15-7-8-15/h3-6,9-11,15H,7-8,12H2,1-2H3,(H,21,23)