1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]urea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(2-thienylsulfonyl)-2-piperidyl]ethyl]urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(1-thiophen-2-ylsulfonyl-2-piperidinyl)ethyl]urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]urea Traditional Name: 1-[2-[1-(2-thienylsulfonyl)-2-piperidyl]ethyl]-3-veratryl-urea Formula: C21H29N3O5S2 MolecularWeight: 467.60206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3)OC

InChI

InChI=1S/C21H29N3O5S2/c1-28-18-9-8-16(14-19(18)29-2)15-23-21(25)22-11-10-17-6-3-4-12-24(17)31(26,27)20-7-5-13-30-20/h5,7-9,13-14,17H,3-4,6,10-12,15H2,1-2H3,(H2,22,23,25)