2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-[[4-(1-piperidyl)phenyl]methyl]acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[[4-(1-piperidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-(4-piperidinobenzyl)acetamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCCC2)C3=CC(=CC=C3)Br

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCCC2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-29(27,28)25(20-7-5-6-18(22)14-20)16-21(26)23-15-17-8-10-19(11-9-17)24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,23,26)