[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-(4-bromanylbutylsulfonyl)carbamic acid

Systemtic Name: [1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-(4-bromanylbutylsulfonyl)carbamic acid Openeye Name: [2-[2-(aminomethyl)pyrrolidin-1-yl]-1-benzyl-2-oxo-ethyl]-(4-bromobutylsulfonyl)carbamic acid CAS Name: [1-[2-(aminomethyl)-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]-(4-bromobutylsulfonyl)carbamic acid IUPAC Name: [1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-(4-bromobutylsulfonyl)carbamic acid Traditional Name: [2-[2-(aminomethyl)pyrrolidino]-1-benzyl-2-keto-ethyl]-(4-bromobutylsulfonyl)carbamic acid Formula: C19H28BrN3O5S MolecularWeight: 490.41172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N(C(=O)O)S(=O)(=O)CCCCBr)CN

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N(C(=O)O)S(=O)(=O)CCCCBr)CN

InChI

InChI=1S/C19H28BrN3O5S/c20-10-4-5-12-29(27,28)23(19(25)26)17(13-15-7-2-1-3-8-15)18(24)22-11-6-9-16(22)14-21/h1-3,7-8,16-17H,4-6,9-14,21H2,(H,25,26)