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

Systemtic Name: 4-[[(4-bromanyl-3-methyl-phenyl)sulfonyl-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[(4-bromo-3-methyl-phenyl)sulfonyl-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[(4-bromo-3-methylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[(4-bromo-3-methylphenyl)sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[(4-bromo-3-methyl-phenyl)sulfonyl-cyclopropyl-amino]methyl]-N-cyclopropyl-benzamide Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NC3CC3)C4CC4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NC3CC3)C4CC4)Br

InChI

InChI=1S/C21H23BrN2O3S/c1-14-12-19(10-11-20(14)22)28(26,27)24(18-8-9-18)13-15-2-4-16(5-3-15)21(25)23-17-6-7-17/h2-5,10-12,17-18H,6-9,13H2,1H3,(H,23,25)