N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(2-fluorobenzyl)-mesyl-amino]benzamide Formula: C27H30FN3O5S2 MolecularWeight: 559.672603

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1F)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1F)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H30FN3O5S2/c1-37(33,34)31(20-22-8-4-5-9-26(22)28)24-14-10-21(11-15-24)27(32)29-23-12-16-25(17-13-23)38(35,36)30-18-6-2-3-7-19-30/h4-5,8-17H,2-3,6-7,18-20H2,1H3,(H,29,32)