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

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-[[4-(1-piperidylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[[4-(1-piperidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-[4-(piperidinomethyl)benzyl]acetamide Formula: C23H30BrN3O3S MolecularWeight: 508.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NCC2=CC=C(C=C2)CN3CCCCC3)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NCC2=CC=C(C=C2)CN3CCCCC3)S(=O)(=O)C)Br

InChI

InChI=1S/C23H30BrN3O3S/c1-18-14-21(10-11-22(18)24)27(31(2,29)30)17-23(28)25-15-19-6-8-20(9-7-19)16-26-12-4-3-5-13-26/h6-11,14H,3-5,12-13,15-17H2,1-2H3,(H,25,28)