4-bromanyl-3,5-dimethoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-(4-piperidinosulfonylbenzyl)benzamide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25BrN2O5S/c1-28-18-12-16(13-19(29-2)20(18)22)21(25)23-14-15-6-8-17(9-7-15)30(26,27)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,25)