(phenylmethyl) 2-[(4-methylpiperazin-1-yl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[(4-methylpiperazin-1-yl)sulfonylamino]-3-phenyl-propanoate Openeye Name: benzyl 2-[(4-methylpiperazin-1-yl)sulfonylamino]-3-phenyl-propanoate CAS Name: 2-[(4-methyl-1-piperazinyl)sulfonylamino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methylpiperazin-1-yl)sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[(4-methylpiperazino)sulfonylamino]-3-phenyl-propionic acid benzyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-23-12-14-24(15-13-23)29(26,27)22-20(16-18-8-4-2-5-9-18)21(25)28-17-19-10-6-3-7-11-19/h2-11,20,22H,12-17H2,1H3