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

Systemtic Name: ethyl 3-[[4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate CAS Name: 3-[[[4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate Traditional Name: 3-[[4-[(4-besylpiperazino)methyl]benzoyl]amino]benzoic acid ethyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5S/c1-2-35-27(32)23-7-6-8-24(19-23)28-26(31)22-13-11-21(12-14-22)20-29-15-17-30(18-16-29)36(33,34)25-9-4-3-5-10-25/h3-14,19H,2,15-18,20H2,1H3,(H,28,31)