ethyl 4-[bis(phenylmethyl)amino]-2,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]-5-phenyl-pentanoate

Systemtic Name: ethyl 4-[bis(phenylmethyl)amino]-2,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]-5-phenyl-pentanoate Openeye Name: ethyl 4-(dibenzylamino)-2,2-dimethyl-5-phenyl-3-(p-tolylsulfonylamino)pentanoate CAS Name: 4-[bis(phenylmethyl)amino]-2,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 4-(dibenzylamino)-2,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoate Traditional Name: 4-(dibenzylamino)-2,2-dimethyl-5-phenyl-3-(tosylamino)valeric acid ethyl ester Formula: C36H42N2O4S MolecularWeight: 598.79468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C(C(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C(C)(C)C(C(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C36H42N2O4S/c1-5-42-35(39)36(3,4)34(37-43(40,41)32-23-21-28(2)22-24-32)33(25-29-15-9-6-10-16-29)38(26-30-17-11-7-12-18-30)27-31-19-13-8-14-20-31/h6-24,33-34,37H,5,25-27H2,1-4H3