ethyl 4-[2-[(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2-isopropoxy-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyanilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(2-isopropoxy-5-morpholinosulfonyl-anilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H35N4O7S+ MolecularWeight: 499.6009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C

InChI

InChI=1S/C22H34N4O7S/c1-4-32-22(28)25-9-7-24(8-10-25)16-21(27)23-19-15-18(5-6-20(19)33-17(2)3)34(29,30)26-11-13-31-14-12-26/h5-6,15,17H,4,7-14,16H2,1-3H3,(H,23,27)/p+1