N-[4-(4-chloranylphenoxy)butyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[4-(4-chloranylphenoxy)butyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[4-(4-chlorophenoxy)butyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide CAS Name: N-[4-(4-chlorophenoxy)butyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-[4-(4-chlorophenoxy)butyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-[4-(4-chlorophenoxy)butyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide Formula: C22H27ClFN3O4S MolecularWeight: 483.983883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClFN3O4S/c23-18-4-8-20(9-5-18)31-17-2-1-12-25-22(28)26-13-3-14-27(16-15-26)32(29,30)21-10-6-19(24)7-11-21/h4-11H,1-3,12-17H2,(H,25,28)