[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H21ClN4O6S MolecularWeight: 468.91124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C19H21ClN4O6S/c20-17-4-3-15(31(27,28)24-9-11-29-12-10-24)13-16(17)19(26)30-14-18(25)23(7-1-5-21)8-2-6-22/h3-4,13H,1-2,7-12,14H2