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

Systemtic Name: 1-[3-(aminomethyl)-2-piperidin-1-ylsulfonyl-phenyl]-3-(2-methylpropyl)urea Openeye Name: 1-[3-(aminomethyl)-2-(1-piperidylsulfonyl)phenyl]-3-isobutyl-urea CAS Name: 1-[3-(aminomethyl)-2-(1-piperidinylsulfonyl)phenyl]-3-(2-methylpropyl)urea IUPAC Name: 1-[3-(aminomethyl)-2-piperidin-1-ylsulfonylphenyl]-3-(2-methylpropyl)urea Traditional Name: 1-[3-(aminomethyl)-2-piperidinosulfonyl-phenyl]-3-isobutyl-urea Formula: C17H28N4O3S MolecularWeight: 368.49422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC1=CC=CC(=C1S(=O)(=O)N2CCCCC2)CN

Isomeric SMILES

CC(C)CNC(=O)NC1=CC=CC(=C1S(=O)(=O)N2CCCCC2)CN

InChI

InChI=1S/C17H28N4O3S/c1-13(2)12-19-17(22)20-15-8-6-7-14(11-18)16(15)25(23,24)21-9-4-3-5-10-21/h6-8,13H,3-5,9-12,18H2,1-2H3,(H2,19,20,22)