(phenylmethyl) 3-methyl-2-[(4-methylpiperazin-1-yl)sulfamoylamino]butanoate

Systemtic Name: (phenylmethyl) 3-methyl-2-[(4-methylpiperazin-1-yl)sulfamoylamino]butanoate Openeye Name: benzyl 3-methyl-2-[(4-methylpiperazin-1-yl)sulfamoylamino]butanoate CAS Name: 3-methyl-2-[(4-methyl-1-piperazinyl)sulfamoylamino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-[(4-methylpiperazin-1-yl)sulfamoylamino]butanoate Traditional Name: 3-methyl-2-[(4-methylpiperazino)sulfamoylamino]butyric acid benzyl ester Formula: C17H28N4O4S MolecularWeight: 384.49362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NS(=O)(=O)NN2CCN(CC2)C

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NS(=O)(=O)NN2CCN(CC2)C

InChI

InChI=1S/C17H28N4O4S/c1-14(2)16(17(22)25-13-15-7-5-4-6-8-15)18-26(23,24)19-21-11-9-20(3)10-12-21/h4-8,14,16,18-19H,9-13H2,1-3H3