N-[[4-(aminomethyl)cyclohexyl]methyl]-2-[2-(2-methoxyphenyl)ethyl-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-amino]ethanamide

Systemtic Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-[2-(2-methoxyphenyl)ethyl-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-amino]ethanamide Openeye Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-[2-(2-methoxyphenyl)ethyl-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-amino]acetamide CAS Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-[2-(2-methoxyphenyl)ethyl-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylamino]acetamide IUPAC Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-[2-(2-methoxyphenyl)ethyl-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylamino]acetamide Traditional Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-[2-(2-methoxyphenyl)ethyl-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-amino]acetamide Formula: C32H38F3N3O4S MolecularWeight: 617.72203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCN(CC(=O)NCC2CCC(CC2)CN)S(=O)(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1CCN(CC(=O)NCC2CCC(CC2)CN)S(=O)(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C32H38F3N3O4S/c1-42-30-8-3-2-5-26(30)17-18-38(22-31(39)37-21-24-11-9-23(20-36)10-12-24)43(40,41)29-15-13-25(14-16-29)27-6-4-7-28(19-27)32(33,34)35/h2-8,13-16,19,23-24H,9-12,17-18,20-22,36H2,1H3,(H,37,39)