1-[(4-methoxyphenyl)methyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[[4-(1-piperidylsulfonyl)phenyl]methyl]urea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[[4-(1-piperidinylsulfonyl)phenyl]methyl]urea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Traditional Name: 1-p-anisyl-3-(4-piperidinosulfonylbenzyl)urea Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O4S/c1-28-19-9-5-17(6-10-19)15-22-21(25)23-16-18-7-11-20(12-8-18)29(26,27)24-13-3-2-4-14-24/h5-12H,2-4,13-16H2,1H3,(H2,22,23,25)