1-[3-(aminomethyl)-2-piperidin-1-ylsulfonyl-phenyl]-3-(1-thiophen-2-ylpropyl)urea methanoate

Systemtic Name: 1-[3-(aminomethyl)-2-piperidin-1-ylsulfonyl-phenyl]-3-(1-thiophen-2-ylpropyl)urea methanoate Openeye Name: 1-[3-(aminomethyl)-2-(1-piperidylsulfonyl)phenyl]-3-[1-(2-thienyl)propyl]urea formate CAS Name: 1-[3-(aminomethyl)-2-(1-piperidinylsulfonyl)phenyl]-3-(1-thiophen-2-ylpropyl)urea formate IUPAC Name: 1-[3-(aminomethyl)-2-piperidin-1-ylsulfonylphenyl]-3-(1-thiophen-2-ylpropyl)urea formate Traditional Name: 1-[3-(aminomethyl)-2-piperidinosulfonyl-phenyl]-3-[1-(2-thienyl)propyl]urea formate Formula: C21H29N4O5S2- MolecularWeight: 481.60876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CS1)NC(=O)NC2=CC=CC(=C2S(=O)(=O)N3CCCCC3)CN.C(=O)[O-]

Isomeric SMILES

CCC(C1=CC=CS1)NC(=O)NC2=CC=CC(=C2S(=O)(=O)N3CCCCC3)CN.C(=O)[O-]

InChI

InChI=1S/C20H28N4O3S2.CH2O2/c1-2-16(18-10-7-13-28-18)22-20(25)23-17-9-6-8-15(14-21)19(17)29(26,27)24-11-4-3-5-12-24;2-1-3/h6-10,13,16H,2-5,11-12,14,21H2,1H3,(H2,22,23,25);1H,(H,2,3)/p-1