phenyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate

Systemtic Name: phenyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate Openeye Name: phenyl 4-[3-(p-tolylsulfonylamino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(tosylamino)propanoyl]piperazine-1-carboxylic acid phenyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-17-7-9-19(10-8-17)30(27,28)22-12-11-20(25)23-13-15-24(16-14-23)21(26)29-18-5-3-2-4-6-18/h2-10,22H,11-16H2,1H3