N-(2-bromanyl-4-methyl-phenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-(2-bromo-4-methylphenyl)-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-3-(4-piperidinosulfonylphenyl)propionamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Br

InChI

InChI=1S/C21H25BrN2O3S/c1-16-5-11-20(19(22)15-16)23-21(25)12-8-17-6-9-18(10-7-17)28(26,27)24-13-3-2-4-14-24/h5-7,9-11,15H,2-4,8,12-14H2,1H3,(H,23,25)