[2-[3-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-amino]-3-oxidanylidene-propyl]phenyl] benzoate

Systemtic Name: [2-[3-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-amino]-3-oxidanylidene-propyl]phenyl] benzoate Openeye Name: [2-[3-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-amino]-3-oxo-propyl]phenyl] benzoate CAS Name: benzoic acid [2-[3-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl-ethylamino]-3-oxopropyl]phenyl] ester IUPAC Name: [2-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-ethylamino]-3-oxopropyl]phenyl] benzoate Traditional Name: benzoic acid [2-[3-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-amino]-3-keto-propyl]phenyl] ester Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)CCC1=CC=CC=C1OC(=O)C2=CC=CC=C2)S(=O)(=O)C3=C(N(N=C3C)C)Cl

Isomeric SMILES

CCN(C(=O)CCC1=CC=CC=C1OC(=O)C2=CC=CC=C2)S(=O)(=O)C3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C23H24ClN3O5S/c1-4-27(33(30,31)21-16(2)25-26(3)22(21)24)20(28)15-14-17-10-8-9-13-19(17)32-23(29)18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3