2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-(4-piperidinosulfonylphenyl)acetamide Formula: C21H26BrN3O5S2 MolecularWeight: 544.48224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C)Br

InChI

InChI=1S/C21H26BrN3O5S2/c1-16-14-18(8-11-20(16)22)25(31(2,27)28)15-21(26)23-17-6-9-19(10-7-17)32(29,30)24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,23,26)