N-[2-(4-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propyl-ethanamide

Systemtic Name: N-[2-(4-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propyl-ethanamide Openeye Name: N-[2-(4-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propyl-acetamide CAS Name: N-[2-(4-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propylacetamide IUPAC Name: N-[2-(4-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propylacetamide Traditional Name: N-[2-(4-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propyl-acetamide Formula: C23H30FN3O3S MolecularWeight: 447.566003

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)C

Isomeric SMILES

CCCN(C1=C(C=CC(=C1)N2CCCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)C

InChI

InChI=1S/C23H30FN3O3S/c1-4-12-27(18(2)28)22-17-20(26-14-5-13-25(3)15-16-26)8-11-23(22)31(29,30)21-9-6-19(24)7-10-21/h6-11,17H,4-5,12-16H2,1-3H3