methyl 4-[4-[phenyl-[(phenylmethyl)sulfonylamino]methyl]phenyl]butanoate

Systemtic Name: methyl 4-[4-[phenyl-[(phenylmethyl)sulfonylamino]methyl]phenyl]butanoate Openeye Name: methyl 4-[4-[(benzylsulfonylamino)-phenyl-methyl]phenyl]butanoate CAS Name: 4-[4-[phenyl-[(phenylmethyl)sulfonylamino]methyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[(benzylsulfonylamino)-phenylmethyl]phenyl]butanoate Traditional Name: 4-[4-[(benzylsulfonylamino)-phenyl-methyl]phenyl]butyric acid methyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(C2=CC=CC=C2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(C2=CC=CC=C2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H27NO4S/c1-30-24(27)14-8-11-20-15-17-23(18-16-20)25(22-12-6-3-7-13-22)26-31(28,29)19-21-9-4-2-5-10-21/h2-7,9-10,12-13,15-18,25-26H,8,11,14,19H2,1H3