N-[[4-(aminomethyl)phenyl]methyl]-2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-[2-(2-methoxyphenyl)ethyl]amino]ethanamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-[2-(2-methoxyphenyl)ethyl]amino]ethanamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-[[5-(4-fluorophenyl)-2-thienyl]sulfonyl-[2-(2-methoxyphenyl)ethyl]amino]acetamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-[[5-(4-fluorophenyl)-2-thiophenyl]sulfonyl-[2-(2-methoxyphenyl)ethyl]amino]acetamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-[2-(2-methoxyphenyl)ethyl]amino]acetamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-[[5-(4-fluorophenyl)-2-thienyl]sulfonyl-[2-(2-methoxyphenyl)ethyl]amino]acetamide Formula: C29H30FN3O4S2 MolecularWeight: 567.694603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCN(CC(=O)NCC2=CC=C(C=C2)CN)S(=O)(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1CCN(CC(=O)NCC2=CC=C(C=C2)CN)S(=O)(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H30FN3O4S2/c1-37-26-5-3-2-4-23(26)16-17-33(20-28(34)32-19-22-8-6-21(18-31)7-9-22)39(35,36)29-15-14-27(38-29)24-10-12-25(30)13-11-24/h2-15H,16-20,31H2,1H3,(H,32,34)