ethyl 4-[4-[(3-methylphenyl)-methylsulfonyl-amino]butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-methylphenyl)-methylsulfonyl-amino]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3-methyl-N-methylsulfonyl-anilino)butanoyl]piperazine-1-carboxylate CAS Name: 4-[4-(3-methyl-N-methylsulfonylanilino)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methyl-N-methylsulfonylanilino)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(N-mesyl-3-methyl-anilino)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCN(C2=CC=CC(=C2)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCN(C2=CC=CC(=C2)C)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O5S/c1-4-27-19(24)21-13-11-20(12-14-21)18(23)9-6-10-22(28(3,25)26)17-8-5-7-16(2)15-17/h5,7-8,15H,4,6,9-14H2,1-3H3