tert-butyl 4-[4-[bis(phenylmethyl)amino]phenyl]-2-(1-sulfamoylethyl)pentanoate

Systemtic Name: tert-butyl 4-[4-[bis(phenylmethyl)amino]phenyl]-2-(1-sulfamoylethyl)pentanoate Openeye Name: tert-butyl 4-[4-(dibenzylamino)phenyl]-2-(1-sulfamoylethyl)pentanoate CAS Name: 4-[4-[bis(phenylmethyl)amino]phenyl]-2-(1-sulfamoylethyl)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(dibenzylamino)phenyl]-2-(1-sulfamoylethyl)pentanoate Traditional Name: 4-[4-(dibenzylamino)phenyl]-2-(1-sulfamoylethyl)valeric acid tert-butyl ester Formula: C31H40N2O4S MolecularWeight: 536.7253

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C)S(=O)(=O)N)C(=O)OC(C)(C)C)C1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(CC(C(C)S(=O)(=O)N)C(=O)OC(C)(C)C)C1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C31H40N2O4S/c1-23(20-29(24(2)38(32,35)36)30(34)37-31(3,4)5)27-16-18-28(19-17-27)33(21-25-12-8-6-9-13-25)22-26-14-10-7-11-15-26/h6-19,23-24,29H,20-22H2,1-5H3,(H2,32,35,36)