2-(butylsulfonylamino)-3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]propanoate; 3-phenyloxiran-2-one

Systemtic Name: 2-(butylsulfonylamino)-3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]propanoate; 3-phenyloxiran-2-one Openeye Name: 2-(butylsulfonylamino)-3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]phenyl]propanoate; 3-phenyloxiran-2-one CAS Name: 2-(butylsulfonylamino)-3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]phenyl]propanoate; 3-phenyl-2-oxiranone IUPAC Name: 2-(butylsulfonylamino)-3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]phenyl]propanoate; 3-phenyloxiran-2-one Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]phenyl]-2-(butylsulfonylamino)propionate; 3-phenyloxiran-2-one Formula: C31H31N4O8S- MolecularWeight: 619.66484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)[O-].C1=CC=C(C=C1)C2C(=O)O2

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)[O-].C1=CC=C(C=C1)C2C(=O)O2

InChI

InChI=1S/C23H26N4O6S.C8H6O2/c1-2-3-10-34(31,32)27-18(23(29)30)11-14-4-7-17(8-5-14)26-22(28)20-13-16-12-15(21(24)25)6-9-19(16)33-20;9-8-7(10-8)6-4-2-1-3-5-6/h4-9,12-13,18,27H,2-3,10-11H2,1H3,(H3,24,25)(H,26,28)(H,29,30);1-5,7H/p-1