4-[[(5-bromanyl-2-ethoxy-phenyl)sulfonyl-methyl-amino]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[(5-bromanyl-2-ethoxy-phenyl)sulfonyl-methyl-amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[(5-bromo-2-ethoxy-phenyl)sulfonyl-methyl-amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[(5-bromo-2-ethoxyphenyl)sulfonyl-methylamino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[(5-bromo-2-ethoxyphenyl)sulfonyl-methylamino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[(5-bromo-2-ethoxy-phenyl)sulfonyl-methyl-amino]methyl]-N-cyclopropyl-benzamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NC3CC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NC3CC3

InChI

InChI=1S/C20H23BrN2O4S/c1-3-27-18-11-8-16(21)12-19(18)28(25,26)23(2)13-14-4-6-15(7-5-14)20(24)22-17-9-10-17/h4-8,11-12,17H,3,9-10,13H2,1-2H3,(H,22,24)