butyl 4-[[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate CAS Name: 4-[[[4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate Traditional Name: 4-[[4-[(4-tosylpiperazino)methyl]benzoyl]amino]benzoic acid butyl ester Formula: C30H35N3O5S MolecularWeight: 549.681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O5S/c1-3-4-21-38-30(35)26-11-13-27(14-12-26)31-29(34)25-9-7-24(8-10-25)22-32-17-19-33(20-18-32)39(36,37)28-15-5-23(2)6-16-28/h5-16H,3-4,17-22H2,1-2H3,(H,31,34)