[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-4-methoxybenzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzoate Traditional Name: 3-[4-(3-chlorophenyl)piperazino]sulfonyl-4-methoxy-benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H31ClN4O7S MolecularWeight: 567.05424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN4O7S/c1-25(2,3)28-24(33)27-22(31)16-37-23(32)17-8-9-20(36-4)21(14-17)38(34,35)30-12-10-29(11-13-30)19-7-5-6-18(26)15-19/h5-9,14-15H,10-13,16H2,1-4H3,(H2,27,28,31,33)