tert-butyl 3-phenyl-3-[3-[[3-[(phenylmethyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanoate

Systemtic Name: tert-butyl 3-phenyl-3-[3-[[3-[(phenylmethyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanoate Openeye Name: tert-butyl 3-[3-[[3-(benzylcarbamoylamino)phenyl]sulfonylamino]phenyl]-3-phenyl-propanoate CAS Name: 3-[3-[[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]sulfonylamino]phenyl]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[[3-(benzylcarbamoylamino)phenyl]sulfonylamino]phenyl]-3-phenylpropanoate Traditional Name: 3-[3-[[3-(benzylcarbamoylamino)phenyl]sulfonylamino]phenyl]-3-phenyl-propionic acid tert-butyl ester Formula: C33H35N3O5S MolecularWeight: 585.7131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=CC=CC=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CC(C1=CC=CC=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C33H35N3O5S/c1-33(2,3)41-31(37)22-30(25-14-8-5-9-15-25)26-16-10-18-28(20-26)36-42(39,40)29-19-11-17-27(21-29)35-32(38)34-23-24-12-6-4-7-13-24/h4-21,30,36H,22-23H2,1-3H3,(H2,34,35,38)