N-[(4-fluorophenyl)methyl]-2-[2-pyrrolidin-1-ylethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[2-pyrrolidin-1-ylethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[2-pyrrolidin-1-ylethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[2-(1-pyrrolidinyl)ethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[2-pyrrolidin-1-ylethyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-(4-fluorobenzyl)-2-[mesitylsulfonyl(2-pyrrolidinoethyl)amino]-N-(2-thenyl)acetamide Formula: C29H36FN3O3S2 MolecularWeight: 557.742843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCN2CCCC2)CC(=O)N(CC3=CC=C(C=C3)F)CC4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCN2CCCC2)CC(=O)N(CC3=CC=C(C=C3)F)CC4=CC=CS4)C

InChI

InChI=1S/C29H36FN3O3S2/c1-22-17-23(2)29(24(3)18-22)38(35,36)33(15-14-31-12-4-5-13-31)21-28(34)32(20-27-7-6-16-37-27)19-25-8-10-26(30)11-9-25/h6-11,16-18H,4-5,12-15,19-21H2,1-3H3