(5-methyl-2-propan-2-yl-cyclohexyl) 2-[[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]benzoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 2-[[oxo-[3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]methyl]amino]benzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 2-[[3-(4-benzylpiperazino)sulfonylbenzoyl]amino]benzoic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C35H43N3O5S MolecularWeight: 617.79802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5)C(C)C

InChI

InChI=1S/C35H43N3O5S/c1-25(2)30-17-16-26(3)22-33(30)43-35(40)31-14-7-8-15-32(31)36-34(39)28-12-9-13-29(23-28)44(41,42)38-20-18-37(19-21-38)24-27-10-5-4-6-11-27/h4-15,23,25-26,30,33H,16-22,24H2,1-3H3,(H,36,39)