[azanyl-[4-[azanyl(butan-2-ylsulfonyloxycarbonyl)amino]phenyl]carbamoyl] butane-2-sulfonate

Systemtic Name: [azanyl-[4-[azanyl(butan-2-ylsulfonyloxycarbonyl)amino]phenyl]carbamoyl] butane-2-sulfonate Openeye Name: [amino-[4-[amino(sec-butylsulfonyloxycarbonyl)amino]phenyl]carbamoyl] butane-2-sulfonate CAS Name: 2-butanesulfonic acid IUPAC Name: [amino-[4-[amino(butan-2-ylsulfonyloxycarbonyl)amino]phenyl]carbamoyl] butane-2-sulfonate Traditional Name: butane-2-sulfonic acid [amino-[4-[amino(sec-butylsulfonyloxycarbonyl)amino]phenyl]carbamoyl] ester Formula: C16H26N4O8S2 MolecularWeight: 466.52964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)OC(=O)N(C1=CC=C(C=C1)N(C(=O)OS(=O)(=O)C(C)CC)N)N

Isomeric SMILES

CCC(C)S(=O)(=O)OC(=O)N(C1=CC=C(C=C1)N(C(=O)OS(=O)(=O)C(C)CC)N)N

InChI

InChI=1S/C16H26N4O8S2/c1-5-11(3)29(23,24)27-15(21)19(17)13-7-9-14(10-8-13)20(18)16(22)28-30(25,26)12(4)6-2/h7-12H,5-6,17-18H2,1-4H3