[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O5S/c1-3-19(2)25-23(28)18-32-24(29)21-10-7-11-22(16-21)33(30,31)27-14-12-26(13-15-27)17-20-8-5-4-6-9-20/h4-11,16,19H,3,12-15,17-18H2,1-2H3,(H,25,28)