1-butyl-3-(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)urea

Systemtic Name: 1-butyl-3-(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)urea Openeye Name: 1-butyl-3-[2-(1-piperidyl)-5-(1-piperidylsulfonyl)phenyl]urea CAS Name: 1-butyl-3-[2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)phenyl]urea IUPAC Name: 1-butyl-3-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)urea Traditional Name: 1-butyl-3-(2-piperidino-5-piperidinosulfonyl-phenyl)urea Formula: C21H34N4O3S MolecularWeight: 422.58466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCCC3

Isomeric SMILES

CCCCNC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCCC3

InChI

InChI=1S/C21H34N4O3S/c1-2-3-12-22-21(26)23-19-17-18(29(27,28)25-15-8-5-9-16-25)10-11-20(19)24-13-6-4-7-14-24/h10-11,17H,2-9,12-16H2,1H3,(H2,22,23,26)