methyl 2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(4-methylpiperazin-1-yl)sulfonylmethyl]-3-phenyl-propanoate Openeye Name: methyl 2-benzyl-3-(4-methylpiperazin-1-yl)sulfonyl-propanoate CAS Name: 2-[(4-methyl-1-piperazinyl)sulfonylmethyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-(4-methylpiperazin-1-yl)sulfonylpropanoate Traditional Name: 2-benzyl-3-(4-methylpiperazino)sulfonyl-propionic acid methyl ester Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H24N2O4S/c1-17-8-10-18(11-9-17)23(20,21)13-15(16(19)22-2)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3