3-oxidanylidenebutan-2-yl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (1-methyl-2-oxo-propyl) 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid (2-keto-1-methyl-propyl) ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-17(25)18(2)29-22(26)20-9-6-10-21(15-20)30(27,28)24-13-11-23(12-14-24)16-19-7-4-3-5-8-19/h3-10,15,18H,11-14,16H2,1-2H3