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

Systemtic Name: 4-[[(5-bromanyl-2-methoxy-phenyl)sulfonyl-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[(5-bromo-2-methoxy-phenyl)sulfonyl-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[(5-bromo-2-methoxy-phenyl)sulfonyl-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NC3CC3)C4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NC3CC3)C4CC4

InChI

InChI=1S/C21H23BrN2O4S/c1-28-19-11-6-16(22)12-20(19)29(26,27)24(18-9-10-18)13-14-2-4-15(5-3-14)21(25)23-17-7-8-17/h2-6,11-12,17-18H,7-10,13H2,1H3,(H,23,25)