N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-1-tosyl-isonipecotamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C22H27BrN2O4S/c1-15-4-7-19(8-5-15)30(27,28)25-12-10-17(11-13-25)22(26)24-16(2)18-6-9-21(29-3)20(23)14-18/h4-9,14,16-17H,10-13H2,1-3H3,(H,24,26)