5-(azepan-1-ylsulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(2-fluorobenzyl)thio]ethyl]-2-methoxy-benzamide Formula: C23H29FN2O4S2 MolecularWeight: 480.615763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSCC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSCC3=CC=CC=C3F

InChI

InChI=1S/C23H29FN2O4S2/c1-30-22-11-10-19(32(28,29)26-13-6-2-3-7-14-26)16-20(22)23(27)25-12-15-31-17-18-8-4-5-9-21(18)24/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3,(H,25,27)