[1-aminocarbonyl-4-butyl-3-cyano-6-(2-methylsulfinylphenyl)-5-piperidin-1-yl-naphthalen-2-yl] methanesulfonate

Systemtic Name: [1-aminocarbonyl-4-butyl-3-cyano-6-(2-methylsulfinylphenyl)-5-piperidin-1-yl-naphthalen-2-yl] methanesulfonate Openeye Name: [4-butyl-1-carbamoyl-3-cyano-6-(2-methylsulfinylphenyl)-5-(1-piperidyl)-2-naphthyl] methanesulfonate CAS Name: methanesulfonic acid [4-butyl-1-carbamoyl-3-cyano-6-(2-methylsulfinylphenyl)-5-(1-piperidinyl)-2-naphthalenyl] ester IUPAC Name: [4-butyl-1-carbamoyl-3-cyano-6-(2-methylsulfinylphenyl)-5-piperidin-1-ylnaphthalen-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-butyl-1-carbamoyl-3-cyano-6-(2-methylsulfinylphenyl)-5-piperidino-2-naphthyl] ester Formula: C29H33N3O5S2 MolecularWeight: 567.71942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1C(=C(C=C2)C3=CC=CC=C3S(=O)C)N4CCCCC4)C(=O)N)OS(=O)(=O)C)C#N

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1C(=C(C=C2)C3=CC=CC=C3S(=O)C)N4CCCCC4)C(=O)N)OS(=O)(=O)C)C#N

InChI

InChI=1S/C29H33N3O5S2/c1-4-5-11-20-23(18-30)28(37-39(3,35)36)26(29(31)33)22-15-14-21(19-12-7-8-13-24(19)38(2)34)27(25(20)22)32-16-9-6-10-17-32/h7-8,12-15H,4-6,9-11,16-17H2,1-3H3,(H2,31,33)