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

Systemtic Name: 1-[3-(aminomethyl)-2-piperidin-1-ylsulfonyl-phenyl]-3-octyl-urea Openeye Name: 1-[3-(aminomethyl)-2-(1-piperidylsulfonyl)phenyl]-3-octyl-urea CAS Name: 1-[3-(aminomethyl)-2-(1-piperidinylsulfonyl)phenyl]-3-octylurea IUPAC Name: 1-[3-(aminomethyl)-2-piperidin-1-ylsulfonylphenyl]-3-octylurea Traditional Name: 1-[3-(aminomethyl)-2-piperidinosulfonyl-phenyl]-3-octyl-urea Formula: C21H36N4O3S MolecularWeight: 424.60054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N4O3S/c1-2-3-4-5-6-8-14-23-21(26)24-19-13-11-12-18(17-22)20(19)29(27,28)25-15-9-7-10-16-25/h11-13H,2-10,14-17,22H2,1H3,(H2,23,24,26)