N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-isopropoxy-3-methoxy-phenyl)methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-isopropoxy-3-methoxy-benzyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)OC

InChI

InChI=1S/C21H28N2O5S2/c1-15(2)28-18-9-8-16(12-19(18)27-3)13-22-21(24)17-6-4-10-23(14-17)30(25,26)20-7-5-11-29-20/h5,7-9,11-12,15,17H,4,6,10,13-14H2,1-3H3,(H,22,24)