N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-methylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-mesyl-pyrrolidine-2-carboxamide Formula: C18H27N3O5S2 MolecularWeight: 429.55408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H27N3O5S2/c1-27(23,24)21-14-6-7-17(21)18(22)19-15-8-10-16(11-9-15)28(25,26)20-12-4-2-3-5-13-20/h8-11,17H,2-7,12-14H2,1H3,(H,19,22)