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

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-(4-piperidinosulfonylphenyl)propionamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-28-20-11-5-16(15-19(20)22)6-12-21(25)23-17-7-9-18(10-8-17)29(26,27)24-13-3-2-4-14-24/h5,7-11,15H,2-4,6,12-14H2,1H3,(H,23,25)