(4-cyanophenyl)sulfonyl-[ethyl(propan-2-yl)carbamoyl]-bis(2-morpholin-4-ylethyl)azanium

Systemtic Name: (4-cyanophenyl)sulfonyl-[ethyl(propan-2-yl)carbamoyl]-bis(2-morpholin-4-ylethyl)azanium Openeye Name: (4-cyanophenyl)sulfonyl-[ethyl(isopropyl)carbamoyl]-bis(2-morpholinoethyl)ammonium CAS Name: (4-cyanophenyl)sulfonyl-[[ethyl(propan-2-yl)amino]-oxomethyl]-bis[2-(4-morpholinyl)ethyl]ammonium IUPAC Name: (4-cyanophenyl)sulfonyl-[ethyl(propan-2-yl)carbamoyl]-bis(2-morpholin-4-ylethyl)azanium Traditional Name: (4-cyanophenyl)sulfonyl-[ethyl(isopropyl)carbamoyl]-bis(2-morpholinoethyl)ammonium Formula: C25H40N5O5S+ MolecularWeight: 522.6806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)C)C(=O)[N+](CCN1CCOCC1)(CCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCN(C(C)C)C(=O)[N+](CCN1CCOCC1)(CCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H40N5O5S/c1-4-29(22(2)3)25(31)30(15-9-27-11-17-34-18-12-27,16-10-28-13-19-35-20-14-28)36(32,33)24-7-5-23(21-26)6-8-24/h5-8,22H,4,9-20H2,1-3H3/q+1