methyl 2-(phenylmethyl)-3-piperazin-1-ylsulfonyl-propanoate

Systemtic Name: methyl 2-(phenylmethyl)-3-piperazin-1-ylsulfonyl-propanoate Openeye Name: methyl 2-benzyl-3-piperazin-1-ylsulfonyl-propanoate CAS Name: 2-(phenylmethyl)-3-(1-piperazinylsulfonyl)propanoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-piperazin-1-ylsulfonylpropanoate Traditional Name: 2-benzyl-3-piperazinosulfonyl-propionic acid methyl ester Formula: C15H22N2O4S MolecularWeight: 326.41118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCNCC2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCNCC2

InChI

InChI=1S/C15H22N2O4S/c1-21-15(18)14(11-13-5-3-2-4-6-13)12-22(19,20)17-9-7-16-8-10-17/h2-6,14,16H,7-12H2,1H3