butyl 4-[[3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate CAS Name: 4-[[[3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate Traditional Name: 4-[[3-[(4-besylpiperazino)methyl]benzoyl]amino]benzoic acid butyl ester Formula: C29H33N3O5S MolecularWeight: 535.65442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H33N3O5S/c1-2-3-20-37-29(34)24-12-14-26(15-13-24)30-28(33)25-9-7-8-23(21-25)22-31-16-18-32(19-17-31)38(35,36)27-10-5-4-6-11-27/h4-15,21H,2-3,16-20,22H2,1H3,(H,30,33)