ethyl 2-[[[2-chloroethyl(methylsulfonyl)amino]-methylsulfonyl-carbamoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[[2-chloroethyl(methylsulfonyl)amino]-methylsulfonyl-carbamoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[[2-chloroethyl(methylsulfonyl)amino]-methylsulfonyl-carbamoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[[2-chloroethyl(methylsulfonyl)amino]-methylsulfonylamino]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[[2-chloroethyl(methylsulfonyl)amino]-methylsulfonylcarbamoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[[2-chloroethyl(mesyl)amino]-mesyl-carbamoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C16H24ClN3O7S2 MolecularWeight: 469.96066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C16H24ClN3O7S2/c1-4-27-15(21)14(12-13-8-6-5-7-9-13)18-16(22)20(29(3,25)26)19(11-10-17)28(2,23)24/h5-9,14H,4,10-12H2,1-3H3,(H,18,22)