butyl 4-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate CAS Name: 4-[[[3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate Traditional Name: 4-[[3-[(4-tosylpiperazino)methyl]benzoyl]amino]benzoic acid butyl ester Formula: C30H35N3O5S MolecularWeight: 549.681

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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=C(C=C4)C

Isomeric SMILES

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

InChI

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