1-[3-(hydroxymethyl)-2-piperidin-1-ylsulfonyl-phenyl]-3-octyl-urea

Systemtic Name: 1-[3-(hydroxymethyl)-2-piperidin-1-ylsulfonyl-phenyl]-3-octyl-urea Openeye Name: 1-[3-(hydroxymethyl)-2-(1-piperidylsulfonyl)phenyl]-3-octyl-urea CAS Name: 1-[3-(hydroxymethyl)-2-(1-piperidinylsulfonyl)phenyl]-3-octylurea IUPAC Name: 1-[3-(hydroxymethyl)-2-piperidin-1-ylsulfonylphenyl]-3-octylurea Traditional Name: 1-(3-methylol-2-piperidinosulfonyl-phenyl)-3-octyl-urea Formula: C21H35N3O4S MolecularWeight: 425.5853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=CC=CC(=C1S(=O)(=O)N2CCCCC2)CO

Isomeric SMILES

CCCCCCCCNC(=O)NC1=CC=CC(=C1S(=O)(=O)N2CCCCC2)CO

InChI

InChI=1S/C21H35N3O4S/c1-2-3-4-5-6-8-14-22-21(26)23-19-13-11-12-18(17-25)20(19)29(27,28)24-15-9-7-10-16-24/h11-13,25H,2-10,14-17H2,1H3,(H2,22,23,26)