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

Systemtic Name: methyl 2-(phenylmethyl)-3-piperazin-1-ylsulfonyl-propanoate hydrochloride Openeye Name: methyl 2-benzyl-3-piperazin-1-ylsulfonyl-propanoate hydrochloride CAS Name: 2-(phenylmethyl)-3-(1-piperazinylsulfonyl)propanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-benzyl-3-piperazin-1-ylsulfonylpropanoate hydrochloride Traditional Name: 2-benzyl-3-piperazinosulfonyl-propionic acid methyl ester hydrochloride Formula: C15H23ClN2O4S MolecularWeight: 362.87212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4S.ClH/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;1H