methyl 2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]amino]-4-methylpentanoate Traditional Name: 2-[[3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C24H30FN3O5S MolecularWeight: 491.575503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H30FN3O5S/c1-17(2)15-22(24(30)33-3)26-23(29)18-5-4-6-21(16-18)34(31,32)28-13-11-27(12-14-28)20-9-7-19(25)8-10-20/h4-10,16-17,22H,11-15H2,1-3H3,(H,26,29)